2642-98-0

• 常用中文名：7-胺基去乙酰氧基头胞烷酸
• 常用英文名：6-Aminochrysene
• CAS号：2642-98-0
• 分子式：C₁₈H₁₃N
• 分子量：243.303
• 相关类别： 化学试剂 有机试剂 三环化合物
• 发布时间：2018-08-06 18:16:23
• 更新时间：2024-01-10 12:23:18
• 6-Aminochrysene (6-Aminochrysene) 是芳香胺类的化学治疗剂,用于脾肿大,骨髓性白血病和乳腺癌。

名称

• 中文名: 7-胺基去乙酰氧基头胞烷酸
• 英文名: chrysen-6-amine
• 中文别名: 氨基屈; 6-氨基屈
• 英文别名: Chrysen-6-ylamine; 6-Amino-chrysen; Chrysen-6-ylamin; 6-AMINOCHRYSENE; Chrysenex; Chrysen-6-amine; 6-Amc; Chrysonex; 6-chrysenylamine; 6-Chrysenamine; MFCD00003699; chrysene-6-ylamine; EINECS 220-149-7

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 501.2±19.0 °C at 760 mmHg
• 熔点: 209-211 °C(lit.)
• 分子式: C₁₈H₁₃N
• 分子量: 243.303
• 闪点: 286.9±16.8 °C
• 精确质量: 243.104797
• PSA: 26.02000
• LogP: 4.63
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.814
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 常温常压下稳定，避免与不相容材料接触。

  与强氧化剂反应。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积26

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:326

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  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:

  1. 性状：黄色或棕色结晶性粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：209-211

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,29mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：未确定

生物活性

• 描述: 6-Aminochrysene (6-Aminochrysene) 是芳香胺类的化学治疗剂,用于脾肿大,骨髓性白血病和乳腺癌。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 癌症
  研究领域 >> 炎症/免疫
• 体外研究: 6-氨基噻吩通过大鼠肝微粒体抑制苯胺的羟基化,对硝基苯甲醚的0-去甲基化和氨基比林的N-去甲基化。用6-氨基噻吩预处理大鼠可显着降低体外N-去甲基化,但显着增加羟基化和0-去甲基化[1]。
• 体内研究: 6-Aminochrysene是体内几种固体实验肿瘤生长的抑制剂,对人乳腺癌具有抑癌作用[1]。向小鼠长期局部皮肤施用6-氨基噻吩诱导3个月后良性皮肤肿瘤和7个月后皮肤恶性肿瘤的发展。雌性小鼠的反应早于雄性。当6-Aminochrysene腹侧而不是背侧应用时,皮肤肿瘤的诱导更快。皮肤应用后尿排泄量约为口服后的两倍[2]。
• 动物实验: 大鼠：雄性CD大鼠在处死前每天一次腹膜内注射25,50和100mg / kg的6-氨基噻吩预处理连续3天，这在最后一次给药后24小时进行。控制仅接收溶剂[1]。
• 参考文献:

  [1]. Russo R, et al. Effects of 6-aminochrysene on liver microsomal enzyme activity. Xenobiotica. 1976 Apr;6(4):201-5.

  [2]. Lambelin G, et al. Carcinogenicity of 6-aminochrysene in mice. Eur J Cancer. 1975 May;11(5):327-34.

MSDS

Name: 6-Aminochrysene 97% Material Safety Data Sheet Synonym: 6-Chrysenamin CAS: 2642-98-0 Section 1 - Chemical Product MSDS Name:6-Aminochrysene 97% Material Safety Data Sheet Synonym:6-Chrysenamin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2642-98-0 6-Aminochrysene 97 220-149-7 Hazard Symbols: XN Risk Phrases: 40 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Limited evidence of a carcinogenic effect.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. 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: 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. 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. 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# 2642-98-0: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: brown Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 209.00 - 211.50 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: Specific Gravity/Density: Molecular Formula: C18H13N Molecular Weight: 243.0977 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: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2642-98-0: GC0500000 LD50/LC50: Not available. Carcinogenicity: 6-Aminochrysene - 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: XN Risk Phrases: R 40 Limited evidence of a carcinogenic effect. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37 Wear suitable protective clothing and gloves. 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# 2642-98-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2642-98-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2642-98-0 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: 1、其他多剂量毒性：大鼠经口TDLo：9504mg/kg/36D-C； 2、慢性毒性/致癌性 小鼠经皮肤接触TDLo：1100mg/kg/39W-I； 3、 致突变性 微生物鼠伤寒沙门氏菌突变：2500μg/plate； 微生物鼠伤寒沙门氏菌突变：500μg/plate； 大肠杆菌DNA加和：25μmol/L； 枯草芽孢杆菌的DNA修复：60μg/disc； 人淋巴细胞的DNA加和：20mg/L； 大鼠肝的DNA合成：500μmol /L； 小鼠腹水瘤的DNA加和：25μmol /L； 仓鼠卵巢的基因突变：5mg/L； 仓鼠肾的形态转化：80μg/L； 仓鼠卵巢的DNA加和：2500μg/L； 仓鼠卵巢体细胞的突变：50mg/L； CHEMICAL IDENTIFICATION RTECS NUMBER : GC0500000 CHEMICAL NAME : 6-Chrysenamine CAS REGISTRY NUMBER : 2642-98-0 BEILSTEIN REFERENCE NO. : 2114213 LAST UPDATED : 199612 DATA ITEMS CITED : 14 MOLECULAR FORMULA : C18-H13-N MOLECULAR WEIGHT : 243.32 WISWESSER LINE NOTATION : L E6 B666J MZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9504 mg/kg/36D-C TOXIC EFFECTS : Cardiac - changes in heart weight Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1100 gm/kg/39W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 50 mg/L REFERENCE : JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 13,531,1984

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 22
• 安全声明 (欧洲): S45-S36/37/39-S26
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: GC0500000
• 海关编码: 2921499090

合成路线

7496-02-8 ~99% 2642-98-0

文献：MacCrehan, W. A.; May, W. E.; Yang, S. D.; Benner, B. A. Analytical Chemistry, 1988 , vol. 60, # 3 p. 194 - 199

7647-01-0 7496-02-8 64-19-7 ~% 2642-98-0

文献：Ciba Patent: CH170447 , 1934 ;

7496-02-8 10034-85-2 64-19-7 ~% 2642-98-0

文献：Newman; Cathcart Journal of Organic Chemistry, 1940 , vol. 5, p. 618,620

上下游产品

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7496-02-8 7647-01-0 64-19-7 10034-85-2
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海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%