7-胺基去乙酰氧基头胞烷酸结构式
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常用名 | 7-胺基去乙酰氧基头胞烷酸 | 英文名 | 6-Aminochrysene |
|---|---|---|---|---|
| CAS号 | 2642-98-0 | 分子量 | 243.303 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 501.2±19.0 °C at 760 mmHg | |
| 分子式 | C18H13N | 熔点 | 209-211 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 286.9±16.8 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
7-胺基去乙酰氧基头胞烷酸用途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。 |
| 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 | 更多 |
| 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。 |
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| 相关类别 | |
| 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 |
[2]. Lambelin G, et al. Carcinogenicity of 6-aminochrysene in mice. Eur J Cancer. 1975 May;11(5):327-34. |
| 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 |
| InChIKey | KIVUHCNVDWYUNP-UHFFFAOYSA-N |
| SMILES | Nc1cc2c3ccccc3ccc2c2ccccc12 |
| 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 |
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7-胺基去乙酰氧基头胞烷酸毒理学数据: 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; |
| 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 |
|
~99%
7-胺基去乙酰氧基头胞烷酸 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 |
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~%
7-胺基去乙酰氧基头胞烷酸 2642-98-0 |
| 文献:Ciba Patent: CH170447 , 1934 ; |
|
~%
7-胺基去乙酰氧基头胞烷酸 2642-98-0 |
| 文献:Newman; Cathcart Journal of Organic Chemistry, 1940 , vol. 5, p. 618,620 |
| 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% |
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Role of human N-acetyltransferases, NAT1 or NAT2, in genotoxicity of nitroarenes and aromatic amines in Salmonella typhimurium NM6001 and NM6002.
Carcinogenesis 20(6) , 1079-83, (1999) Human NAT1 and NAT2 genes were subcloned into pACYC184 vector and the plasmids thus obtained were introduced into Salmonella typhimurium O-acetyltransferase-deficient strain NM6000 (TA1538/1, 8-DNP/pS... |
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Quantitative microspectrofluorimetry study of the "blocking effect" of 6-aminochrysene on benzo[a]pyrene metabolism using single living cells.
Toxicology 29(4) , 345-56, (1984) By microspectrofluorimetry on single living cells (murine fibroblasts 3T3), we have obtained monoexponential decreases of fluorescence intensity for benzo[a]pyrene (B[a]P) and 6-aminochrysene (6a-chry... |
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Determination of polycyclic aromatic amines in skin by liquid chromatography with electrochemical detection.
J. Chromatogr. A. 354 , 442-8, (1986)
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