3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea

• ChemBase编号: 154704
• 分子式: C26H35Cl2N7O
• 平均质量: 532.5084
• 单一同位素质量: 531.22801414
• SMILES: CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c1c(cccc1Cl)Cl
• Canonical SMILES: CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1c(Cl)cccc1Cl)NC(=O)NC(C)(C)C)CC
• InChI: InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
• InChIKey: MKVMEJKNLUWFSQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
• IUPAC传统名: 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
• 别名: 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4-(diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea; PF-1480232; PD-161570; N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; 1-Tert-butyl-3-[6-(2,6-dichloro-phenyl)-2-(4-diethylamino-butylamino)pyrido[2,3-d]pyrimidin-7-yl]urea; PD-161570

登记号

• CAS号: 192705-80-9
• MDL号: MFCD16618403
• PubChem SID: 162248842
• PubChem CID: 5328135

理论计算性质

• Acid pKa: 11.504685
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): 2.117705
• LogD (pH = 7.4): 2.8022866
• Log P: 5.4242797
• 摩尔折射率: 152.6838 cm^3
• 极化性: 58.128258 Å^3
• 极化表面积: 95.07 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; DMSO: >10 mg/mL; Methanol
• 外观: Off-White Solid; white to off-white powder
• 熔点: 215-230°C

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 25-36/37/38
• 安全公开号: 26-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C26H35Cl2N7O

详细说明

Sigma Aldrich - PZ0109

Biochem/physiol Actions
PD-161570 is an inhibitor of human FGF-1 receptor tyrosine kinase.
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - P217490

A novel FGF-1 receptor tyrosine kinase inhibitor which has been shown to effectively suppress constitutive phosphorylation of the FGF-1 receptor in human ovarian carcinoma cells.

参考文献

• Batley, B.L. et al.: Life Sci., 62, 143 (1997)
• Hamby, J.M. et al.: J. Med. Chem., 40, 2296 (1997)
• Nandi, S. et al.: J. Enz. Inhib. Med. Chem., 24, 937 (1997)