CPI-169 - ≥97% , CAS No.1450655-76-1

CAS: 1450655-76-1 Cat. No.: C275483 Fórmula: C₂₇H₃₆N₄O₅S Peso molecular: 528.66

GRADE & PURITY ≥97%

Synonyms

1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide | 1-{1-[1-(ethanesulfonyl)piperidin-4-yl]ethyl}-N-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-methyl-1H-indole-3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Shipped at room temperature. Store at -20°C.

Specifications

Sinónimos

1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide | 1-{1-[1-(ethanesulfonyl)piperidin-4-yl]ethyl}-N-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-methyl-1H-indole-3-

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

CPI-169 is an effective selective EZH2 inhibitor. The IC50 of EZH2 WT, EZH2 Y641N and EZH1 are 0.24 nM, 0.51 nM and 6.1 nM respectively. In KARPAS-422 cells, CPI-169 inhibited cell survival in a dose-dependent manner, and produced synergistic anti-prolife

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504772436

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772436

Sorrisos canónicos

CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C

IUPAC Name

1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

InChIKey

LHGUZCKPFXXVPV-UHFFFAOYSA-N

INCHI

1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)

SMILES isoméricas

CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C

Peso molecular

528.66

Reaxy-Rn

24027151

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24027151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: N-alkylindoles Indoles Pyrrole carboxamides Alkyl aryl ethers Dihydropyridines Methylpyridines Pyridinones Benzenoids Substituted pyrroles Organic sulfonamides Organosulfonamides Piperidines Sulfonyls Vinylogous esters Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - N-alkylindole - Indole - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Dihydropyridine - Pyridinone - Methylpyridine - Hydropyridine - Piperidine - Pyridine - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organosulfonic acid or derivatives - Pyrrole - Sulfonyl - Organic sulfonic acid or derivatives - Vinylogous amide - Vinylogous ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 50 mM
• Peso molecular: 528.700 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 528.241 Da
• Monoisotopic Mass: 528.241 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1