(S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸
| 中文名称 | (S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸 |
|---|---|
| 中文同义词 | (S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸;化合物 T16986 |
| 英文名称 | Tanomastat |
| 英文同义词 | TANOMASTAT;BAY12-9566,(S)-4Chloro-g-oxo-a-[(phenylthio)methyl][1,1biphenyl]-4-butanoicAcid;(S)-4'-Chloro-g-oxo-a-[(phenylthio)methyl][1,1'-biphenyl]-4-butanoic acid;(S)-4-[4-(4-Chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid;D03802;Tanomastat (usan/inn);(S)-4-(4'-Chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic acid;[1,1'-Biphenyl]-4-butanoic acid, 4'-chloro-γ-oxo-α-[(phenylthio)methyl]-, (αS)- |
| CAS号 | 179545-77-8 |
| 分子式 | C23H19ClO3S |
| 分子量 | 410.91 |
| EINECS号 | |
| 相关类别 | Chiral Reagents;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds |
| Mol文件 | 179545-77-8.mol |
| 结构式 |  |
(S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸 性质
| 熔点 | 110-110.5°C |
|---|---|
| 沸点 | 620.1±55.0 °C(Predicted) |
| 密度 | 1.33±0.1 g/cm3(Predicted) |
| 储存条件 | Sealed in dry,2-8°C |
| 溶解度 | 可溶于丙酮（少许）、氯仿（少许）、乙酸乙酯（少许） |
| 形态 | 固体 |
| 酸度系数(pKa) | 4.01±0.23(Predicted) |
| 颜色 | 白色至类白色 |
| CAS 数据库 | 179545-77-8 |
|
MMP-2 11 nM (Ki) |
MMP-3 143 nM (Ki) |
MMP-9 301 nM (Ki) |
MMP-13 1470 nM (Ki) |
Tanomastat (BAY 12-9566) (1-10000 nM; 6 hours) prevents matrix invasion by endothelial cells in a concentration-dependent manner (IC
50
=840 nM), without affecting cell proliferation.
Tanomastat (BAY 12-9566) (1-00 µM; 5 days) inhibits tubule formation completely at 15-100 µM.
Tanomastat (BAY 12-9566) (100 mg/kg; p.o.; daily for a 7-week period) inhibits local tumor regrowth without causing any toxic effect, and inhibits the number and volume of lung metastases.
| Animal Model: | Six- to eight-week-old female BALB/c nude mice (bearing MDA-MB-435 cells) |
| Dosage: | 100 mg/kg |
| Administration: | p.o.; daily for a 7-week period |
| Result: | Inhibited local tumor regrowth by 58% without causing any toxic effect, and inhibited the number and volume of lung metastases by 57 and 88%, respectively. |
A Matrix Metalloproteinase inhibitor. An angiogenesis inhibitor. Optical Rotation +82℃ (C 1.5 acetone).