Name: AlbA-DCA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686845
Cas No:
常用名:AlbA-DCA
IUPAC:(4aS,6aS,6bR,10S,12aR)-10-{[(2R,3R,4R,5S,6R)-3-(2,2-dichloroacetamido)-4,5-dihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,10S,12aR)-10-{[(2R,3R,4R,5S,6R)-3-(2,2-dichloroacetamido)-4,5-dihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:RKZCSSOXYRKYHB-FNBQOOJUSA-N

分子式:C43H67Cl2NO12
分子量:860.9
氢键供体数 (HBD):7
氢键受体数 (HBA):12
LogP:4.67699
SMILES:CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6NC(=O)C(Cl)Cl)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:10|
SMILES:CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6NC(=O)C(Cl)Cl)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:10|

AlbA-DCA, a conjugate of Albiziabioside A and a dichloroacetate acid subunit, markedly increases intracellular ROS, alleviates lactic acid accumulation in the tumor microenvironment, selectively kills cancer cells, and induces apoptosis.

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 ~