Name: Benzomalvin C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322105
Cas No:157047-98-8
常用名:Benzomalvin C
IUPAC:(2S,3R)-9'-methyl-3-phenyl-1',9',12'-triazaspiro[oxirane-2,10'-tetracyclo[9.8.0.0^{2,7}.0^{13,18}]nonadecane]-2'(7'),3',5',11',13',15',17'-heptaene-8',19'-dione
IUPAC:(2S,3R)-9'-methyl-3-phenyl-1',9',12'-triazaspiro[oxirane-2,10'-tetracyclo[9.8.0.0^{2,7}.0^{13,18}]nonadecane]-2'(7'),3',5',11',13',15',17'-heptaene-8',19'-dione
InChI key:TWDKBDSVUUKABK-HYBUGGRVSA-N

分子式:C24H17N3O3
分子量:395.418
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]11O[C@@H]1c1ccccc1
SMILES:CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]11O[C@@H]1c1ccccc1

Benzomalvin C is a weak antagonist of the neurokinin-1 (NK1) receptor inhibiting binding of substance P by 46% when used at 100 μg/ml in vitro. It is also a weak inhibitor of indolamine 2,3-dioxygenase (IDO) with an IC50 value of 130 μM for recombinant IDO. It was isolated from Penicillium and contains an epoxide group at C-19 and C-20, which is not present in benzomalvins A, B, or E.

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~