179545-77-8
中文名称
(S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸
英文名称
Tanomastat
CAS
179545-77-8
分子式
C23H19ClO3S
分子量
410.91
MOL 文件
179545-77-8.mol
179545-77-8 结构式
基本信息
中文别名
(S)-4-(4'-氯联苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸 英文别名
D03802TANOMASTAT
Tanomastat (usan/inn)
(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
BAY12-9566,(S)-4Chloro-g-oxo-a-[(phenylthio)methyl][1,1biphenyl]-4-butanoicAcid
(S)-4-(4'-Chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic acid
物理化学性质
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-20°C冷冻
溶解度可溶于丙酮（少许）、氯仿（少许）、乙酸乙酯（少许）
酸度系数(pKa)4.01±0.23(Predicted)
形态固体
颜色白色至灰白色
CAS 数据库179545-77-8
应用领域
用途1
A Matrix Metalloproteinase inhibitor. An angiogenesis inhibitor.
Optical Rotation +82掳 (C 1.5 acetone).常见问题列表
生物活性
Tanomastat (BAY 12-9566) 是一种口服生物有效的含锌羧基的非肽联苯基质金属蛋白酶 (MMPs) 抑制剂。抑制MMP-2、MMP-3、MMP-9、MMP-13 的 Ki 值分别为 11、143、301 和 1470 nM。Tanomastat 在几种实验性肿瘤模型中具有抗侵袭和抗转移活性。靶点
|
MMP-2 11 nM (Ki) |
MMP-3 143 nM (Ki) |
MMP-9 301 nM (Ki) |
MMP-13 1470 nM (Ki) |
体外研究
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.
体内研究
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. |