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INCB057643 - 97%, high purity , CAS No.1820889-23-3

COA

Grade & Purity:

≥97%

Cas Number: 1820889-23-3
Molecular Weight: 415.46
PubChem CID: 118467751
PubChem SID: 504772868

In stock

Item Number

I414129

Grouped product items
SKU	Size	Availability	Price
I414129-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
I414129-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90
I414129-10mg	10mg	2	$345.90
I414129-25mg	25mg	1	$778.90
I414129-50mg	50mg	1	$1,187.90
I414129-100mg	100mg	1	$2,078.90

Epigenetic Reader Domain Inhibitors

View related series

Apoptosis (4276) Epigenetic Reader Domain (314) Epigenetics (1496)

Basic Description

Synonyms	INCB 057643 \| 2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one \| NSC807398 \| NSC-807398 \| US9957268, Example 75 \| 87TZD0JEBS \| SCHEMBL17200525 \| 2,2,4-trimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyrro
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	INCB057643 is a BET inhibitor that binds to the acetylated lysine recognition motifs found in the BRD of BET proteins, thereby preventing the interaction between the BET proteins and acetylated lysines on histones.
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 INCB057643 INCB057643 is a BET inhibitor that binds to the acetylated lysine recognition motifs found in the BRD of BET proteins, thereby preventing the interaction between the BET proteins and acetylated lysines on histones. Targets BET In vitro INCB057643 inhibits binding of BRD2/BRD3/BRD4 to an acetylated histone H4 peptide in the low nM range, and is selective against other bromodomain containing proteins. In vitro analyses show that INCB057643 inhibits proliferation of human AML, DLBCL, and multiple myeloma cell lines, with a corresponding decrease in MYC protein levels. Cell cycle analyses indicate that G1 arrest and a concentration-dependent increase in apoptosis are seen within 48 hours of treatment with INCB057643. Production of several cytokines, including IL-6, IL-10 and MIP-1α, was repressed by INCB057643 in human and mouse whole blood stimulated ex vivo with LPS. INCB057643 inhibits proliferation of prostate cancer cell lines. In short-term cell proliferation assays, INCB057643 appears more effective against androgen-dependent (VCaP and LNCaP) than androgen-independent (DU145 and PC3) cells. In vivo Oral administration of INCB057643 resulted in significant anti-tumor efficacy in xenograft models of AML, myeloma, and DLBCL. Treatment of mice bearing 22Rv1 tumor xenografts with INCB057643 (3 mg/kg) led to significant inhibition of tumor growth (T/C%:45%) and consistent reduction of tumor weight relative to vehicle-treated mice.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines
    - Subclass Benzoxazinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Benzoxazinones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazinones
Alternative Parents	Benzomorpholines Pyrrolopyridines Pyridinones Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Sulfones Pyrroles Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazinone - Benzomorpholine - Pyrrolopyridine - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Oxazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Pyrrole - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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	1.114
hba_count	5
HBD Count	1
Rotatable Bond	2

Names and Identifiers

Pubchem Sid	504772868
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772868
IUPAC Name	2,2,4-trimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-methylsulfonyl-1,4-benzoxazin-3-one
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
Smiles	CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C
Isomeric SMILES	CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C
Molecular Weight	415.46
Reaxy-Rn	32166087
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32166087&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
I2224251	Certificate of Analysis	Jul 22, 2022	I414129
I2224252	Certificate of Analysis	Jul 22, 2022	I414129
I2224349	Certificate of Analysis	Jul 22, 2022	I414129
I2224254	Certificate of Analysis	Jul 22, 2022	I414129

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 83 mg/mL (199.77 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	83
DMSO(mM) Max Solubility	199.778558706013
Water(mg / mL) Max Solubility	＜1
Molecular Weight	415.500 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	415.12 Da
Monoisotopic Mass	415.12 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	862.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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