EPZ005687 - Moligand™, ≥98% , Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit, CAS No.1396772-26-1, Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

CAS: 1396772-26-1 Cat. No.: E125682 분자식: C₃₂H₃₇N₅O₃ 분자량: 539.67

등급 & 순도 Moligand™, ≥98%

Synonyms

Q27077206 | 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide | AS-16367 | EPZ 5687 [WHO-DD] | GTPL8387 | 1H-Indazole-4-carboxamide, 1-cyclopentyl-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

EPZ005687 is a potent and selective inhibitor of EZH2 with Ki of 24 nM, 50-fold selectivity against EZH1 and 500-fold selectivity against 15 other protein methyltransferases

사양

동의어

Q27077206 | 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide | AS-16367 | EPZ 5687 [WHO-DD] | GTPL8387 | 1H-Indazole-4-carboxamide, 1-cyclopentyl-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyr

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

EZH2 is the catalytic subunit of the polycomb repressive complex 2 (PRC2) and is involved in repressing gene expression through methylation of histone H3 on lysine 27 (H3K27). EZH2 overexpression is implicated in tumorigenesis and correla

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

순수함

≥98%

이름과 식별자

Pubchem Sid

528764361

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764361

정식 스마일

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C

IUPAC Name

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide

InChIKey

ZOIBZSZLMJDVDQ-UHFFFAOYSA-N

INCHI

1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)

이성체 SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C

분자량

539.67

Reaxy-Rn

22884640

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22884640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Phenylmethylamines Benzylamines Pyridinones Aralkylamines Methylpyridines Dihydropyridines Morpholines Pyrazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Benzylamine - Phenylmethylamine - Dihydropyridine - Methylpyridine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Morpholine - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

관련 대상(인간)

EZH1 Tchem Histone-lysine N-methyltransferase EZH1 (1 Activities)

Discover Target: EZH1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (9 Activities)

Discover Target: EZH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 용해성: DMSO
• 분자량: 539.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 539.29 Da
• Monoisotopic Mass: 539.29 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 991.000
• 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