Name: A-1211212
Rating: 4 (6 reviews)

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HIT ID:HIT218638923
Cas No:1257044-75-9
Common Name:A-1211212
alias:BCL2-IN-1
IUPAC:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[3-nitro-4-({[(1r,4r)-4-methoxycyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
IUPAC:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[3-nitro-4-({[(1r,4r)-4-methoxycyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
InChI key:CSBKUBOVPUXFLO-MAVVKCOWSA-N

Molecular Formula:C47H54ClN7O7S
Molecular Weight:896.5
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CO[C@H]1CC[C@H](CNc2ccc(cc2N(=O)=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
SMILES:CO[C@H]1CC[C@H](CNc2ccc(cc2N(=O)=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1

A-1211212 (BCL2-IN-1) is a potent and selective Bcl-2 inhibitor. It promotes lymphocyte apoptosis, alters colonic mucosa in mice, and improves inflammation.

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