INCB054329 - ≥98% , CAS No.1628607-64-6

CAS: 1628607-64-6 Cat. No.: I414154 분자식: C₁₉H₁₆N₄O₃ 분자량: 348.36

GRADE & PURITY ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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 

Specifications

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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,

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

제품 특성

• ALogP: 1.884
• hba_count: 5
• HBD 수: 1
• 회전 가능한 결합: 2

이름과 식별자

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

Data sources

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

화학 및 물리적 특성

• 용해성: 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) 최대 용해도: 70
• DMSO(mM) 최대 용해도: 200.941554713515
• 물(mg/mL) 최대 용해도: ˂1
• 분자량: 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 Ų
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1628607-64-6, the molecular formula is C19H16N4O3, and the molecular weight is 348.36 g/mol. InChIKey XYLPKCDRAAYATL-OAHLLOKOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.