A biphenyl that is 4-chloro-1,1'-biphenyl substituted by a (4-{4-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene-1-sulfonyl)carbamoyl]phenyl}piperazin-1-yl)methyl group at position 2'. It is a BH3-mimetic drug which targets the anti-apoptotic B-cell lymphoma-2 (BCL-2) family proteins, including BCL-2, BCL-xL, and BCL-w, and induces apoptosis in cancer cells.
class Information
0
C42H45ClN6O5S2
- CAS:852808-04-9
- Chemspider:9403232
- LINCS:LSM-1180
- PDBeChem:N3C
- PMID:17572662
- PMID:26880588
- PMID:29543705
- PMID:29792865
- PMID:29856968
- PMID:30389373
- PMID:30402442
- PMID:30557204
- PMID:30625226
- PMID:30721730
- PMID:31493778
- PMID:31579427
- PMID:31612056
- PMID:31906234
- PMID:32079453
- PMID:32083466
- PMID:32139422
- PMID:32212793
- PMID:32424251
- PMID:32470451
- PMID:32580291
- PMID:32623836
- PMID:32811502
- PMID:32966375
- PMID:33140666
- PMID:33218059
- PMID:33396645
- PMID:33523649
- PMID:33786632
- PMID:33787344
- Wikipedia:ABT-737
chebi_ontology
InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
HPLNQCPCUACXLM-PGUFJCEWSA-N
813.430
812.25814
CN(C)CC[C@H](CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1)[N+]([O-])=O
class Relations
- biphenyls
- aromatic amine
- aryl sulfide
- C-nitro compound
- N-arylpiperazine
- secondary amino compound
- tertiary amino compound
- monochlorobenzenes
- N-sulfonylcarboxamide
- has rolerosomeB-cell lymphoma 2 inhibitor
- has rolerosomeantineoplastic agent
- has rolerosomeanti-allergic agent
- has rolerosomeanti-inflammatory agent
- has rolerosomeapoptosis inducer