I-BET762 carboxylic acid - CAS 1300019-38-8

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I-BET762 carboxylic acid is an I-BET762-based warhead ligand for conjugation reactions of PROTAC targeting on BET. I-BET762 carboxylic acid (Molibresib carboxylic acid) is a BRD4 inhibitor with a pIC50 of 5.1.

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Molecular Formula C20H17ClN4O3
Molecular Weight 396.83

I-BET762 carboxylic acid

Synonyms I-BET762 carboxylic acid; Molibresib carboxylic acid; GSK525762A carboxylic acid; PROTAC BRD4-binding moiety 2; 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid
Solubility DMSO : 7.14 mg/mL (ultrasonic)
Storage Powder
-20°C
3 years



4°C
2 years


In solvent
-80°C
6 months



-20°C
1 month
Shipping Room temperature in continental US; may vary elsewhere
InChI Key VEIZLTSJCDOIBH-INIZCTEOSA-N
InChI InChI=1S/C20H17ClN4O3/c1-11-23-24-20-16(10-18(26)27)22-19(12-3-5-13(21)6-4-12)15-9-14(28-2)7-8-17(15)25(11)20/h3-9,16H,10H2,1-2H3,(H,26,27)/t16-/m0/s1
Canonical SMILES CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)O)C4=CC=C(C=C4)Cl

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