Basic Description

Synonyms	AKOS040745044 \| EX-A3126 \| HY-112504 \| Q50825078 \| SCHEMBL16038298 \| INCB054329 pound INCB-054329,INCB-54329 pound(c) \| 1628607-64-6 \| INCB54329 \| INCB-54329 \| s8753 \| MS-25363 \| NSC816024 \| NSC-816024 \| (4S)-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	INCB054329 (INCB-054329, INCB-54329) 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,
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information INCB054329 INCB054329 (INCB-054329, INCB-54329) 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. Targets BRD3-BD2 ; BRD4-BD2 ; BRD2-BD2 ; BRD3-BD1 ; BRD4-BD1 31176,1 nM; 3 nM; 5 nM; 9 nM; 28 nM In vitro INCB054329 shows no significant inhibitory activity against 16 non-BET bromodomains at 3 μM. In a panel of 32 hematologic cancer cell lines derived from acute myeloid leukemia, non-Hodgkin lymphoma, and multiple myeloma, the median 50% growth inhibition (GI50) value of INCB054329 is 152 nM (range, 26-5000 nM). In contrast to tumor cell lines, the GI50 value against T cells isolated from non-diseased donors stimulated ex vivo with IL-2 is 2.435 μM. Growth inhibition correlates with a concentration-dependent accumulation of cells in the G1 phase of the cell cycle. INCB054828 is also a selective kinase inhibitor of the FGFR 1, 2, and 3. In myeloma cell lines, treatment with INCB054329 inhibits expression of c-MYC and induced HEXIM1. In both AML and lymphoma cell lines, INCB054329 induces apoptosis consistent with increased expression of pro-apoptotic regulators. INCB054329 reduces expression of Homologous recombination (HR) components and co-operatively reduces cell growth and increases DNA damage and apoptosis induced by PARPi and cisplatin. In vivo INCB054329 exhibits high clearance in mice resulting in a short half-life. At exposures that effectively suppressed c-MYC, INCB054329 is found to be efficacious and well tolerated in both the KMS-12-BM and MM1.S xenograft models. oral administration of INCB054329 inhibits tumor growth in several models of hematologic cancers. Cell Research(from reference) Cell lines：Myeloma, AML, DLBCL cells Incubation Time：72 h

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazines
Alternative Parents	Benzimidazoles Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Benzenoids Isoxazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazine - Benzimidazole - Alkyl aryl ether - Benzenoid - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Isoxazole - Urea - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	1.884
hba_count	5
HBD Count	1
Rotatable Bond	2

Names and Identifiers

Pubchem Sid	488202496
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202496
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
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
Smiles	CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5
Isomeric SMILES	CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4[C@H](CO3)C5=CC=CC=N5
Molecular Weight	348.36
Reaxy-Rn	27453356
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27453356&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
D23181302	Certificate of Analysis	Mar 13, 2023	I414154
D23181395	Certificate of Analysis	Mar 13, 2023	I414154
D23181297	Certificate of Analysis	Mar 13, 2023	I414154
D23181358	Certificate of Analysis	Mar 13, 2023	I414154
D23181277	Certificate of Analysis	Mar 13, 2023	I414154
D23181357	Certificate of Analysis	Mar 13, 2023	I414154
D23181342	Certificate of Analysis	Mar 13, 2023	I414154
D23181392	Certificate of Analysis	Mar 13, 2023	I414154
D23181362	Certificate of Analysis	Mar 13, 2023	I414154
D23181293	Certificate of Analysis	Mar 13, 2023	I414154
D23181294	Certificate of Analysis	Mar 13, 2023	I414154
D23181484	Certificate of Analysis	Mar 13, 2023	I414154

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Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 70 mg/mL (200.94 mM); Ethanol: 70 mg/mL (200.94 mM); Water: ˂1 mg/mL
DMSO(mg / mL) Max Solubility	70
DMSO(mM) Max Solubility	200.941554713515
Water(mg / mL) Max Solubility	˂1
Molecular Weight	348.400 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	348.122 Da
Monoisotopic Mass	348.122 Da
Topological Polar Surface Area	80.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	561.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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SKU	Size	Availability	Price
I414154-2mg	2mg	3	$90.90
I414154-5mg	5mg	3	$187.90
I414154-10mg	10mg	2	$296.90
I414154-25mg	25mg	1	$593.90
I414154-50mg	50mg	1	$939.90
I414154-100mg	100mg	1	$1,503.90

INCB054329 - 98%, high purity , CAS No.1628607-64-6