179545-77-8
中文名稱(chēng)
(S)-4-(4'-氯聯(lián)苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸
英文名稱(chēng)
Tanomastat
CAS
179545-77-8
分子式
C23H19ClO3S
分子量
410.91
MOL 文件
179545-77-8.mol
179545-77-8 結(jié)構(gòu)式
基本信息
中文別名
(S)-4-(4'-氯聯(lián)苯-4-基)-4-氧代-2-(苯硫基甲基)丁酸 英文別名
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
物理化學(xué)性質(zhì)
熔點(diǎn)110-110.5°C
沸點(diǎn)620.1±55.0 °C(Predicted)
密度1.33±0.1 g/cm3(Predicted)
儲(chǔ)存條件-20°C冷凍
溶解度可溶于丙酮（少許）、氯仿（少許）、乙酸乙酯（少許）
酸度系數(shù)(pKa)4.01±0.23(Predicted)
形態(tài)固體
顏色白色至灰白色
CAS 數(shù)據(jù)庫(kù)179545-77-8
應(yīng)用領(lǐng)域
用途1
A Matrix Metalloproteinase inhibitor. An angiogenesis inhibitor.
Optical Rotation +82擄 (C 1.5 acetone).常見(jiàn)問(wèn)題列表
生物活性
Tanomastat (BAY 12-9566) 是一種口服生物有效的含鋅羧基的非肽聯(lián)苯基質(zhì)金屬蛋白酶 (MMPs) 抑制劑。抑制MMP-2、MMP-3、MMP-9、MMP-13 的 Ki 值分別為 11、143、301 和 1470 nM。Tanomastat 在幾種實(shí)驗(yàn)性腫瘤模型中具有抗侵襲和抗轉(zhuǎn)移活性。靶點(diǎn)
|
MMP-2 11 nM (Ki) |
MMP-3 143 nM (Ki) |
MMP-9 301 nM (Ki) |
MMP-13 1470 nM (Ki) |
體外研究
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.
體內(nèi)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. |