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

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

    • Specification
      • Synonyms
        Molibresib carboxylic acid; GSK525762A carboxylic acid; PROTAC BRD4-binding moiety 2
        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
    • Properties
      • 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
Bio Calculators
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