ChemicalBook--->CAS DataBase List--->2138861-99-9

2138861-99-9

2138861-99-9 Structure

2138861-99-9 Structure
IdentificationBack Directory
[Name]

ABBV-744
[CAS]

2138861-99-9
[Synonyms]

CPD1639
CS-2875
ABBV-744
ABBV-744; ABBV 744; ABBV744;2138861-99-9
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
1H-Pyrrolo[2,3-c]pyridine-2-carboxamide, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(1-hydroxy-1-methylethyl)phenyl]-6,7-dihydro-6-methyl-7-oxo-
[Molecular Formula]

C28H30FN3O4
[MDL Number]

MFCD31657409
[MOL File]

2138861-99-9.mol
[Molecular Weight]

491.55
Chemical PropertiesBack Directory
[Boiling point ]

663.7±55.0 °C(Predicted)
[density ]

1.262±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:33.57(Max Conc. mg/mL);68.29(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.51(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);61.03(Max Conc. mM)
[form ]

A crystalline solid
[pka]

13.77±0.40(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
Hazard InformationBack Directory
[Uses]

ABBV 744 is a bromodomain and extra-??terminal (BET) inhibitor used as a combination therapy for cancer treatment.
[Biological Activity]

ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It can be further studied for the treatment of acute myeloid leukemia and cancer.
[in vitro]

ABBV-744 is a potent BDII inhibitor that inhibits BRD2/3/4. The binding preference for BDII is more than 250 times that for BDI, with favorable drug-like properties. It is also an inhibitor of the androgen receptor transduction pathway.

[in vivo]

The maximum tolerated dose of ABBV-744 induces tumor growth inhibition in AML and prostate cancer xenograft models.

[target]

TargetValue
BDII
()
[IC 50]

BRD2 (BD2): 8 nM (IC50); BRD3 (BD2): 13 nM (IC50); BRDT (BD2): 18 nM (IC50); BRD4 (BD2): 4 nM (IC50); BRD4 (BD2): 3 nM (Kd)
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