EPZ005687 - Moligand™, 2mM in DMSO , 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.: E421487 Formule: C₃₂H₃₇N₅O₃ Poids moléculaire: 539.67

QUALITÉ & PURETÉ Moligand™, 2mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

Moligand™, 2mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

Noms et identifiants

Pubchem Sid

528764360

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764360

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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)

Propriétés chimiques et physiques

• Poids moléculaire: 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