A BD2 bromodomain inhibitor
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ABBV-744

Item No. 30470

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl]-6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CAS Number
2138861-99-9
Molecular Formula
C28H30FN3O4
Formula Weight
491.6
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlDMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml
SMILES
CC(C)(O)C1=CC=C(OC2=C(C)C=C(F)C=C2C)C(C3=CN(C)C(C4=C3C=C(C(NCC)=O)N4)=O)=C1
InChi Code
InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
InChi Key
OEDSFMUSNZDJFD-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    5 mg

    $75

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    10 mg

    $143

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    25 mg

    $333

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    50 mg

    $627

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    Cayman Chemical
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    Product Description

    ABBV-744 is an inhibitor of the bromodomain and extra-terminal domain (BET) family protein bromodomain 2 (BD2; Kis = 4.6, 4.9, 1.6, and 1 nM for BRD2, -3, -4, and -T, respectively).1 It is selective for BD2 over BD1 bromodomains in a time-resolved FRET (TR-FRET) assay (Kis = 1,162, 3,140, 521, and 917 nM for BRD2, -3, -4, and -T, respectively). ABBV-744 inhibits proliferation of SKM-1 leukemia cells (IC50 = 6.7 nM). It induces cell cycle arrest at the G1 phase in LNCaP prostate cancer cells.2 ABBV-744 (18.8 mg/kg) reduces tumor volume in a SKM-1 mouse xenograft model.1 It also reduces tumor growth in LNCaP and MDA PCa 2b mouse xenograft models when administered at doses of 1 and 4.7 mg/kg.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Sheppard, G.S., Wang, L., Fidanze, S.D., et al. Discovery of N-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J. Med. Chem. 63(10), 5585-5623 (2020).

    2. Faivre, E., McDaniel, K.F., Albert, D.H., et al. Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature 578(7794), 306-310 (2020).