6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate
| 中文名稱 | 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate |
|---|---|
| 中文同義詞 | 6-氧代-6,7,8,9,10,11-六氫環(huán)庚[C] [1]苯并吡喃-3-基磺酸鹽;化合物IROSUSTAT;6-氧代-6,7,8,9,10,11-六氫環(huán)庚并[C]苯并吡喃-3-基氨基磺酸酯;化合物IROSUSTAT,10 MM DMSO 溶液;化合物:Irosustat (STX64) CAS:288628-05-7;化合物：Irosustat (STX64) CAS:288628-05-7 |
| 英文名稱 | 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate |
| 英文同義詞 | 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate;BN 83495;STX 64;6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate;DSLPMJSGSBLWRE-UHFFFAOYSA-N;STX64 - BN83495 | Irosustat | 667 Coumate;COUMATE. Irosustat.;ST-64667 |
| CAS號 | 288628-05-7 |
| 分子式 | C14H15NO5S |
| 分子量 | 309.34 |
| EINECS號 | 604-604-1 |
| 相關類別 | |
| Mol文件 | 288628-05-7.mol |
| 結構式 | ![6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate 結構式](CAS/GIF/288628-05-7.gif) |
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate 性質
| 熔點 | 170.1-173.4 °C |
|---|---|
| 沸點 | 544.1±60.0 °C(Predicted) |
| 密度 | 1.48±0.1 g/cm3(Predicted) |
| 儲存條件 | 2-8°C |
| 溶解度 | 二甲基亞砜：>20mg/mL |
| 形態(tài) | 白色粉末 |
| 酸度系數(shù)(pKa) | 8.26±0.70(Predicted) |
| 顏色 | 白色至米白色 |
| InChI | 1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) |
| InChIKey | DSLPMJSGSBLWRE-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1 |
| Target | Value |
|
STS
() | 8 nM |
Irosustat (667 COUMATE) is a potent steroid sulfatase inhibitor, with an IC 50 of 8 nM. Irosustat (667 COUMATE) inhibits steroid sulphatase (STS) activity in MCF-7 cells with an IC 50 of 0.2 nM, but has no effect on the morphology or proliferation of MCF-7 cells at 10 μM.
Irosustat potently inhibits rat liver, with inhibition of >90% when at a 1 mg/kg concentration. Irosustat (2 mg/kg, p.o. for 5 d) blocks the uterine growth stimulated by oestrone sulfate (E1S) in ovariectomized rats. In addition, Irosustat (2, 10 mg/kg, p.o.) plus E1S dose-dependently decreases the growth of NMU-induced mammary tumors in ovariectomized rats. Irosustat (667 COUMATE; 10 mg/kg, p.o.) shows 97.9 ± 0.06% inhibition on steroid sulphatase (STS) activity in rat liver.
安全信息
| WGK Germany | 3 |
|---|---|
| 存儲類別 | 11 - 可燃固體 |
| 更新日期 | 產品編號 | 產品名稱 | CAS號 | 包裝 | 價格 |
|---|---|---|---|---|---|
| 2026/06/05 | HY-14586 | 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate Irosustat | 288628-05-7 | 1 mg | 434元 |
| 2026/06/05 | HY-14586 | 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c][1]benzopyran-3-yl sulfaMate Irosustat | 288628-05-7 | 5mg | 1000元 |