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SD-91 , CAS No.S613503, Inhibitor of signal transducer and activator of transcription 3
Basic Description Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of signal transducer and activator of transcription 3
Associated Targets(Human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name [2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indole-5-carbonyl]phosphonic acid INCHI InChI=1S/C59H62N9O13P/c60-49(69)27-24-44(53(72)65-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37)62-56(75)48-25-22-40-29-30-66(34-46(58(77)68(40)48)63-54(73)45-32-39-31-38(21-23-43(39)61-45)59(78)82(79,80)81)51(71)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-67(57(41)76)47-26-28-50(70)64-55(47)74/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,61H,1-3,11,20,22,24-30,33-34H2,(H2,60,69)(H,62,75)(H,63,73)(H,65,72)(H,64,70,74)(H2,79,80,81)/t40-,44+,46+,47?,48+/m1/s1 InChi Key OHDMEJTVYXXZNQ-OPKPGBGESA-N Canonical SMILES NC(=O)CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2c1CN(C2=O)C1CCC(=O)NC1=O)NC(=O)c1cc2c([nH]1)ccc(c2)C(=O)P(=O)(O)O Isomeric SMILES C1C[C@H](N2[C@H]1CCN(C[C@@H](C2=O)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(=O)P(=O)(O)O)C(=O)CCCCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9 PubChem CID 155145010
References 1. Zhou H, Bai L, Xu R, McEachern D, Chinnaswamy K, Li R, Wen B, Wang M, Yang CY, Meagher JL et al. . (2021) SD-91 as A Potent and Selective STAT3 Degrader Capable of Achieving Complete and Long-Lasting Tumor Regression.. ACS Med Chem Lett, 12 (6): (996-1004). [PMID:34141084 ] [10.1021/op500134e ]
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