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INCB054329

CAT: 1568-C13641-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C13641-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628607-64-6
SKU
C13641-5mg
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CC1=C (C (=NO1) C) C2=C3C4=C (C=C2) NC (=O) N4C (CO3) C5=CC=CC=N5
Molecular Formula
C19H16N4O3
Additionnal Information
INCB054329 is a structurally distinct bromodomain and extraterminal domain (BET) inhibitor with IC50 values of 44 nM, 5 nM, 9 nM, 1 nM, 28 nM, 3 nM, 119 nM and 63 nM for BRD2-BD1, BRD2-BD2, BRD3-BD1, BRD3-BD2, BRD4-BD1, BRD4-BD2, BRDT-BD1 and BRDT-BD2, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Incb054329

BET Inhibitor INCB054329 is an inhibitor of the Bromodomain and Extra-Terminal (BET) family of bromodomain-containing proteins with potential antineoplastic activity. Upon administration, the BET inhibitor INCB054329 binds to the acetylated lysine recognition motifs on the bromodomain 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 tumor cell growth. Characterized by a tandem repeat of bromodomain at the N-terminus, BET proteins, BRD2, BRD3, BRD4 and BRDT, are transcriptional regulators that play an important role during cellular growth.

CAS Number1628607-64-6
PubChem CID90410660
IUPAC Name(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
Molecular FormulaC19H16N4O3
Molecular Weight348.4
XLogP1.9
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity561
SMILES
CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4[C@H](CO3)C5=CC=CC=N5
InChI
InChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-14-17-18(12)25-9-15(23(17)19(24)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKey
XYLPKCDRAAYATL-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Incb054329
CAS: 1628607-64-6
CID: 90410660
Formula: C19H16N4O3
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass348.12224039
Monoisotopic Mass348.12224039
Topological Polar Surface Area80.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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