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54-71-7价格

54-71-7

54-71-7结构式
54-71-7结构式

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中文名 盐酸毛果芸香碱
英文名 (+)-Pilocarpine hydrochloride
中文别名 (3S,4R)-4,5-二氢-3-乙基-4-(1-甲基-1H-咪唑-5-基甲基)-2(3H)-呋喃酮盐酸盐
氨噻唑
(+)-毛果芸香碱盐酸盐
英文别名 (3S,4R)
pilocel
Akarpine
Pilocarpine HCl
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
pilocarpine,2(3H)-furanone,3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)-methyl] monohydrochloride,(3S-cis)
Salagen
Pilocarpine
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)-methyl]dihydrofuran-2(3H)one hydrochloride
pilovisc
EINECS 200-212-5
Sanpilo
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-
Pilocarpine (Hydrochloride)
(3S,4R)-3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone
MFCD00012722
pilocar
ami-pilo
(+)-pilocarpine
(3S,4R)-3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
amisturap
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
描述 Pilocarpine Hydrochloride 是一种选择性的 M3 型毒蕈碱乙酰胆碱受体 (M3 muscarinic receptor) 激动剂。
相关类别
靶点

M3 muscarinic receptor[1]

体外研究 为了评估毛果芸香碱的细胞毒性,分别通过光学显微镜和MTT测定检查人角膜基质(HCS)细胞的形态和活力。形态学观察显示暴露于毛果芸香碱的浓度为0.625至20g/L的HCS细胞表现出剂量和时间依赖性的增殖迟缓和形态学异常,例如细胞收缩,细胞质空泡化,从培养基质中脱离,最终死亡,而没有暴露于浓度为0.625g/L的毛果芸香碱和对照之间观察到明显的差异。 MTT法检测结果显示,暴露于毛果芸香碱后,HCS细胞的活力随着时间和浓度的增加而降低至0.625 g/L以上(P <0.01或0.05),而毛果芸香碱处理的HCS细胞的活力低于0.625 g/L显示对照没有显着差异[2]。部分毒蕈碱激动剂毛果芸香碱引起浓度依赖性松弛,在大鼠尾动脉的分离段中EC50为2.4 mM,其中用去氧肾上腺素(10至200 nM)收缩[3]。
体内研究 检测毛果芸香碱诱导的对照大鼠(CN)和运动(EX)大鼠的唾液分泌。毛果芸香碱在EX大鼠中诱导的唾液量显着高于CN大鼠(P <0.01)。相反,EX大鼠唾液中Na +浓度显着低于CN大鼠(P <0.05)[1]。
细胞实验 通过MTT测定确定细胞活力。简而言之,将HCS细胞以1×10 4个细胞/100μL/孔的密度接种到96孔培养板(Nunc)中,并进行培养和处理。以4小时的间隔,将含有毛果芸香碱(0.625至20g / L)的培养基完全替换为含有1.0g / L MTT的100μL无血清DMEM / F12培养基,并将细胞在37℃下在黑暗中孵育。持续4小时。在小心丢弃含有MTT的培养基后,加入150μLDMSO以在37℃在黑暗中溶解产生的甲crystals晶体15分钟,并用Multiskan GO酶标仪读取490nm处的吸光度[2]。 。
动物实验 大鼠[1]将10周龄雄性Wistar大鼠分为两组中的一组,运动(EX,n = 6)和对照(CN,n = 6)。将EX大鼠在带有滚轮(SN-451)的笼子中保持40天,允许它们进行自愿运动,同时将CN大鼠保持在笼子中并锁定行驶轮。在第40天,毛果芸香碱诱导的唾液测量如下。简而言之,将大鼠麻醉,将预先称重的棉花舌下放入口中,腹膜内注射毛果芸香碱(0.5mg / kg)以诱导唾液分泌。然后每10分钟更换一个棉球1小时。将收集的棉球再次称重,并通过从最终重量中减去初始值来计算分泌的唾液的质量。
参考文献

[1]. Matsuzaki K, et al. Daily voluntary exercise enhances pilocarpine-induced saliva secretion and aquaporin 1 expression in rat submandibular glands. FEBS Open Bio. 2017 Dec 7;8(1):85-93.

[2]. Yuan XL, et al. Cytotoxicity of pilocarpine to human corneal stromal cells and its underlying cytotoxic mechanisms. Int J Ophthalmol. 2016 Apr 18;9(4):505-11.

[3]. Tonta MA, et al. Pilocarpine-induced relaxation of rat tail artery by a non-cholinergic mechanism and in the absence of an intact endothelium. Br J Pharmacol. 1994 Jun;112(2):525-32.

[4]. Wang RF, et al. Post-treatment with the GLP-1 analogue liraglutide alleviate chronic inflammation and mitochondrial stress induced by Status epilepticus. Epilepsy Res. 2018 Mar 9;142:45-52.

密度 1.2±0.1 g/cm3
沸点 431.8±18.0 °C at 760 mmHg
熔点 202-205 °C(lit.)
分子式 C11H17ClN2O2
分子量 208.257
闪点 215.0±21.2 °C
精确质量 208.121185
PSA 44.12000
LogP -0.09
外观性状 白色粉末
蒸汽压 0.0±1.0 mmHg at 25°C
折射率 1.585
储存条件

本品应密封于阴凉干燥避光处保存。

水溶解性 soluble
分子结构

1、 摩尔折射率:57.02

2、 摩尔体积(cm3/mol):170.1

3、 等张比容(90.2K):433.1

4、 表面张力(dyne/cm):41.9

5、 极化率(10-24cm3):22.60

计算化学

1、 疏水参数计算参考值(XlogP):

2、 氢键供体数量:1

3、 氢键受体数量:3

4、 可旋转化学键数量:3

5、 互变异构体数量:2

6、 拓扑分子极性表面积(TPSA):44.1

7、 重原子数量:16

8、 表面电荷:0

9、 复杂度:245

10、同位素原子数量:0

11、确定原子立构中心数量:2

12、不确定原子立构中心数量:0

13、确定化学键立构中心数量:0

14、不确定化学键立构中心数量:0

15、共价键单元数量:2

更多

1. 性状:白色结晶。微苦。有吸湿性。对光敏感。

2. 密度(g/mL,25/4℃): 未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):204~205

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:未确定

8. 闪点(ºC):未确定

9. 比旋光度(º):[α]D18 +91°(C=2)

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:1g产品溶于0.3ml水、3ml乙醇、366ml氯仿,不溶于乙醚。

Name: (+)-Pilocarpine Hydrochloride Material Safety Data Sheet
Synonym: Almocarpine; Pilocar; Pilomiotin
CAS: 54-71-7
Section 1 - Chemical Product MSDS Name:(+)-Pilocarpine Hydrochloride Material Safety Data Sheet
Synonym:Almocarpine; Pilocar; Pilomiotin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54-71-7 (+)-Pilocarpine Hydrochloride 99% 200-212-5
Hazard Symbols: T+
Risk Phrases: 26/28

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Very toxic by inhalation and if swallowed.Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May be fatal if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. SPEED IS ESSENTIAL. A DOCTOR MUST BE NOTIFIED AT ONCE. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from moisture. Store protected from light.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 54-71-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white to off-white
Odor: odorless
pH: 3.5 - 4.5 (5%aq.sol)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 200-204 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Freely Soluble.
Specific Gravity/Density:
Molecular Formula: C11H16N2O2.HCl
Molecular Weight: 244.72

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, oxides of chlorine.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 54-71-7: TK1450000 LD50/LC50:
CAS# 54-71-7: Oral, mouse: LD50 = 200 mg/kg.
Carcinogenicity:
(+)-Pilocarpine Hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 26/28 Very toxic by inhalation and if swallowed.
Safety Phrases:
S 25 Avoid contact with eyes.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 54-71-7: 3
Canada
CAS# 54-71-7 is listed on Canada's NDSL List.
CAS# 54-71-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54-71-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性:男人,眼睛接触TDLo:200ug/kg/7H-I;小鼠腹腔LD50:203mg/kg;大鼠皮下LD50: 230 mg/kg;小鼠经口LD50:200 mg/kg; 小鼠腹腔LD50:155mg/kg;小鼠皮下:200 mg/kg;小鼠静脉LD50:150 mg/kg;豚鼠动脉LDLo:20 mg/kg;鸽子静脉LDLo:353 mg/kg1、 2、繁殖毒性:雄性大鼠皮下TDLo:130mg/kg,7-19天后受孕;雌性兔子皮下TDLo:20mg/kg,24-27天后受孕;雄性牛皮下:800ug/kg1天前交配

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TK1450000
CHEMICAL NAME :
Pilocarpine, monohydrochloride
CAS REGISTRY NUMBER :
54-71-7
LAST UPDATED :
199701
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C11-H16-N2-O2.Cl-H
MOLECULAR WEIGHT :
244.75
WISWESSER LINE NOTATION :
T5OVTJ C2 D1- DT5N CNJ C1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Ocular
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
200 ug/kg/7H-I
TOXIC EFFECTS :
Cardiac - other changes
REFERENCE :
AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 147,586,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
203 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,901,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,901,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,646,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
155 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic
REFERENCE :
ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 29,39,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,901,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,901,1990
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 131,171,1928
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraarterial
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 131,171,1928
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
353 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
130 mg/kg
SEX/DURATION :
female 7-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 85,79,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
20 mg/kg
SEX/DURATION :
female 24-27 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - respiratory system
REFERENCE :
AJANA2 American Journal of Anatomy. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1-192, 1901-91. Volume(issue)/page/year: 154,163,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
800 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 8,297,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2736 No. of Facilities: 112 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 3136 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2736 No. of Facilities: 110 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 5031 (estimated) No. of Female Employees: 3716 (estimated)

符号 GHS06
GHS06
信号词 Danger
危害声明 H300 + H330
警示性声明 Missing Phrase - N15.00950417-P260-P304 + P340 + P310-P403 + P233
危害码 (欧洲) T+:Verytoxic;
风险声明 (欧洲) R26/28
安全声明 (欧洲) S25-S45
危险品运输编码 UN 1544 6.1/PG 3
WGK德国 3
RTECS号 TK1450000
包装等级 III
危险类别 6.1
海关编码 2934999090
海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%