化学品概述
基本信息
-
中文名称:
拉帕替尼
-
中文别名:
N-[3-氯-4-[(3-氟苯基)甲氧基]苯基]-6-[5-[(2-甲磺酰乙基氨基)甲基]-2-呋喃基]喹唑啉-4-胺;拉帕替尼;拉帕替尼碱;二甲苯磺酸拉帕替尼中间体;GW2016 LAPATINIB;GW 572016LAPATINIB拉帕替尼;拉帕替尼, 99+%;GW-572016; TYKERB
-
英文名称:
Lapatinib
-
英文别名:
lapatinib;n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine;4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-;Lapatinib(TINIBS);Lapatinib Base N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-Quinazolinamine;N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan
-
分子式:
C29H26ClFN4O4S
-
分子量:
581.057543 [g/mol]
-
CAS:
231277-92-2
- EINECS编号:
- MDL编号:
-
精确质量:
580.134732
- InChI:
- InChI Key:
-
MOL文件:
/Mol/231277-92-2.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
- 熔点:
- 沸点:
- 密度:
- 折射率:
- 比旋光度:
- 闪点:
- 溶解性:
- 酸度系数(pKa):
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
- 储存条件:
- 检测方法:
- 蒸气压:
- Merck:
- BRN:
- NIST化学物质信息:
- EPA化学物质信息:
安全信息
- 危化品标志:
- 危化代码:
- 安全代码:
- 海关编码/HS编码:
- 危化品运输编码:
- WGK Germany:
- RTECS:
- TSCA:
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
制备方法/合成路线
参考资料
- Reversible dual inhibitor of ErbB1 and ErbB2 tyrosine kinases. Prepn: M. C. Carter et al., WO 9935146 (1999 to Glaxo); eidem, US 6727256 (2004 to SmithKline Beecham). Mechanism of action study: W. Xia et al., Oncogene 21, 6255 (2002); and crystal structure in complex with epidermal growth factor receptor (EGFR, ErbB1): E. R. Wood et al., Cancer Res. 64, 6652 (2004). In vitro antitumor activity in combination with anti-ErbB2 antibodies: W. Xia et al., Oncogene 24, 6213 (2005). Biologic effects on tumor growth: N. L. Spector et al., J. Clin. Oncol. 23, 2502 (2005). Pharmacokinetics and clinical activity in metastatic carcinomas: H. A. Burris III et al., ibid. 5305. Review of clinical development: T. E. Kim, J. R. Murren, IDrugs 6, 886-893 (2003); H. A. Burris III, Oncologist 9, Suppl. 3, 10-15 (2004).
- MSDS
图谱
计算化学数据
-
疏水参数计算参考值(XlogP):
5.1
-
氢键供体数量 :
2
-
氢键受体数量:
6
-
可旋转化学键数量:
11
-
拓扑分子机型表面积(TPSA) :
115
-
重原子数量:
40
-
形式电荷:
0
-
复杂度:
898
-
同位素原子数量:
0
-
确定原子立构中心数量:
0
-
不确定原子立构中心数量:
0
-
确定化学键立构中心数量:
0
-
不确定化学键立构中心数量:
0
-
共价键单元数量:
1