339-72-0

• 常用中文名：L-环丝氨酸
• 常用英文名：L-Cycloserine
• CAS号：339-72-0
• 分子式：C₃H₆N₂O₂
• 分子量：102.09200
• 相关类别： 原料药 抗生素类药物 其它抗生素类药
• 发布时间：2018-05-21 08:00:00
• 更新时间：2024-01-05 15:09:55
• L-cycloserine作用于大肠杆菌和各种动物大脑, 不可逆地抑制GABA 5'-磷酸吡哆醛氨基转移酶, 这种作用具有时间依赖性, 导致了γ-氨基丁酸 (GABA) 含量增高, GABA在体内抑制性神经递质。

名称

• 中文名: 3-氟-4-(三氟甲基)苯甲醛
• 英文名: L-cycloserine
• 中文别名: L-环丝氨酸
• 英文别名: 1-bromo-2,3,5,6-tetradeuterio-4-fluoro-benzene; 1-(5-(Hydroxymethyl)pyrimidin-2-yl)piperidin-4-ol; d4-4-bromofluorobenzene; cycloserine; 1-Bromo-4-fluorobenzene-d4; 4-amino-isoxazolidin-3-one; D-4-amino-3-isoxazolidone; 4-fluoro-2,3,5,6-tetradeuterobromobenzene; L-CYCLOSERINE; MFCD00064324; 4-Bromofluorobenzene-d4; EINECS 206-427-0; Cycloserine Impurity 1

物化性质

• 密度: 1.278
• 熔点: 147ºC
• 分子式: C₃H₆N₂O₂
• 分子量: 102.09200
• 精确质量: 102.04300
• PSA: 64.35000
• 外观性状: 白色粉末
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：22.47

  2、 摩尔体积（m³/mol）：79.8

  3、 等张比容（90.2K）：201.9

  4、 表面张力（dyne/cm）：40.8

  5、 极化率（10 ^-24cm ³）：8.90

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.5

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:5

  6.拓扑分子极性表面积64.4

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:92.9

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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:1

• 更多:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：147

  沸点（ºC,常压）：不可用

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

生物活性

• 描述: L-cycloserine作用于大肠杆菌和各种动物大脑, 不可逆地抑制GABA 5'-磷酸吡哆醛氨基转移酶, 这种作用具有时间依赖性, 导致了γ-氨基丁酸 (GABA) 含量增高, GABA在体内抑制性神经递质。
• 相关类别:
  信号通路 >> 跨膜转运 >> GABA受体
  信号通路 >> 神经信号通路 >> GABA受体
  天然产物 >> 其他
  研究领域 >> 神经疾病

MSDS

Name: L-Cycloserine 99% Material Safety Data Sheet Synonym: L-4-Amino-3-Isoxalolidinone CAS: 339-72-0 Section 1 - Chemical Product MSDS Name:L-Cycloserine 99% Material Safety Data Sheet Synonym:L-4-Amino-3-Isoxalolidinone Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 339-72-0 L-Cycloserine 99% 206-427-0 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: 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: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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# 339-72-0: 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: Powder Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 146 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: 10% Specific Gravity/Density: Molecular Formula: C3H6N2O2 Molecular Weight: 102.09 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Acids, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 339-72-0: NY2976000 LD50/LC50: CAS# 339-72-0: Oral, mouse: LD50 = 2492 mg/kg. Carcinogenicity: L-Cycloserine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 339-72-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 339-72-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 339-72-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : NY2976000 CHEMICAL NAME : 3-Isoxazolidinone, 4-amino-, (L)- CAS REGISTRY NUMBER : 339-72-0 BEILSTEIN REFERENCE NO. : 0080799 LAST UPDATED : 199612 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C3-H6-N2-O2 MOLECULAR WEIGHT : 102.11 WISWESSER LINE NOTATION : T5OMVTJ DZ -L HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2492 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1889 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1071 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1500 mg/kg/5D-I TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 25,411,1986

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R5
• 安全声明 (欧洲): 38-36/37
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: NY2976000
• 海关编码: 2934999090

海关

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%