ABBV-744

CAT: 0013-GTR19170421-07Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19170421-07Size:50 mg

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Description

ABBV-744 is a BDII-selective BET bromodomain inhibitor targeting BRD2, BRD3, and BRD4. It is a research tool for investigating cancers, inflammatory diseases, and HIV/AIDS, with studies demonstrating its activity in both cellular and animal models.

CAS Number

2138861-99-9

Product Name Alternative

ABBV 744, ABBV744, ABBV-744, Antitumor, BET bromodomain, Drug-like, CYP3A4, Oral, LNCaP, Inhibitor, inhibit, HIVProtease, HIV Protease, HIV, EpigeneticReaderDomain, Epigenetic Reader Domain, Human immunodeficiency virus, Selective, Potent

Field of Research

Epigenetics & Chromatin, Infectious Disease & Virology, Protein Biochemistry

Purity

97.03% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.07 mM) ; DMSO:230 mg/mL (467.91 mM)

Smiles

CCNC (=O) C1=CC2C (=CN (C) C (=O) C=2N1) C3C (=CC=C (C (C) (C) O) C=3) OC4=C (C) C=C (F) C=C4C

Molecular Formula

C28H30N3O4F

Molecular Weight

491.5527

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

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

BET Inhibitor ABBV-744 is an orally bioavailable inhibitor of the Bromodomain and Extra-Terminal (BET) family of proteins, with potential antineoplastic activity. Upon oral administration, the BET inhibitor ABBV-744 preferentially binds to the second bromodomain (BD2) of BET proteins, thereby preventing the interaction between the BET proteins and acetylated histones. This disrupts chromatin remodeling and gene expression. Prevention of the expression of certain growth-promoting genes may lead to an inhibition of proliferation in BET-overexpressing tumor cells. BET proteins, comprised of BRD2, BRD3, BRD4 and BRDT, are transcriptional regulators that contain two homologous bromodomains, the BD1 and BD2 domains. They play an important role during development and cellular growth.

CAS Number	2138861-99-9
PubChem CID	132010322
IUPAC Name	N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Molecular Formula	C28H30FN3O4
Molecular Weight	491.6
XLogP	3.9
Topological Polar Surface Area	94.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	852

SMILES

CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C

InChI

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)

InChIKey

OEDSFMUSNZDJFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2138861-99-9

CID: 132010322

Formula: C28H30FN3O4

MW: 491.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	491.6
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	491.22203461
Monoisotopic Mass	491.22203461
Topological Polar Surface Area	94.7 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	852
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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BA1895-5	ABBV-744
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ABBV-744

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