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INCB057643

CAT: 0013-GTR19163433-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163433-01Size:1 g
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Description
INCB057643 is a novel potent, selective, orally bioavailable BET inhibitor; shows more effectivity against androgen-dependent (VCaP and LNCaP) than androgen-independent (DU145 and PC3) cells with IC50 of 500 nM, respectively; significantly causes inhibition of tumor growth in mice bearing 22Rv1 tumor xenografts.Solid Tumors Phase 2 Clinical.
CAS Number
1820889-23-3
Product Name Alternative
INCB 057643
Purity
>98% (HPLC)
Solubility
DMSO : 62.5 mg/mL 150.44 mM
Smiles
CN (C (C (C) (C) O1) =O) C2=C1C (C (C3=C4NC=C3) =CN (C) C4=O) =CC (S (C) (=O) =O) =C2
Molecular Formula
C20H21N3O5S
Molecular Weight
415.464
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2,2,4-trimethyl-8- (6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl) -6- (methylsulfonyl) -2H-benzo[b][1,4]oxazin-3 (4H) -one

Chemical Information

Incb-057643

INCB-057643 is under investigation in clinical trial NCT02959437 (Azacitidine Combined With Pembrolizumab and Epacadostat in Subjects With Advanced Solid Tumors (ECHO-206)).

CAS Number1820889-23-3
PubChem CID118467751
IUPAC Name2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one
Molecular FormulaC20H21N3O5S
Molecular Weight415.5
XLogP0.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity862
SMILES
CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C
InChI
InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
InChIKey
VZSAMEOETVNDQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Incb-057643
CAS: 1820889-23-3
CID: 118467751
Formula: C20H21N3O5S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass415.12019195
Monoisotopic Mass415.12019195
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity862
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

Alternative Products

CatalogName
C13610-5mgINCB057643

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