Products for Research Use Only
RegisterLogin

ABBV-744

CAT: 0931-T4697-09Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T4697-09Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2138861-99-9
Target
Epigenetic Reader Domain, HIV Protease
Related Pathways
Chromatin/Epigenetic, Microbiology/Virology, Proteases/Proteasome
Purity
>99.99%
Bioactivity
ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2/3/4. It is used in the research on inflammatory diseases, cancer, and AIDS.
Smiles
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Molecular Formula
C28H30FN3O4
Molecular Weight
491.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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 Number2138861-99-9
PubChem CID132010322
IUPAC NameN-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 FormulaC28H30FN3O4
Molecular Weight491.6
XLogP3.9
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity852
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
2D structure of 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: 2138861-99-9
CID: 132010322
Formula: C28H30FN3O4
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass491.22203461
Monoisotopic Mass491.22203461
Topological Polar Surface Area94.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T15365-01G-744
T83219-01ABBV-467
T89551-01ABBV-992
T83218-01ABBV-712
T9901A-492-01ABBV-706
T9901A-446-01ABBV-3373
T10219ABBV-4083
T62000-01ABBV-318
T29517ABBV-221
TP2867-01ABBV-383

Alternative Products

CatalogName
BA166477-01ABBV 744
HY-112090-01ABBV-744

Popular Products