Name: ABT-281
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318245
Cas No:148147-65-3
常用名:ABT-281
别名:ABT281, ABT 281, A-86281, A86281, A 86281
别名:ABT281, ABT 281, A-86281, A86281, A 86281
IUPAC:(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(1E)-1-[(1R,3R,4S)-3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
IUPAC:(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(1E)-1-[(1R,3R,4S)-3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
InChI key:HIEKJRVYXXINKH-PTZKMIGFSA-N

分子式:C44H69N5O11
分子量:844.06
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)n1cnnn1 |c:38|
SMILES:[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)n1cnnn1 |c:38|

ABT-281 is an ascomycin analog and a macrolactam T cell inhibitors with potent topical activity and reduced systemic exposure.

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