CP-91149 - ≥99% , CAS No.186392-40-5

CAS: 186392-40-5 Cat. No.: E129719 Formule: C₂₁H₂₂ClN₃O₃ Poids moléculaire: 399.87 Numéro CE: 687-420-3

GRADE & PURITY ≥99%

Synonyms

5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-benzyl-2-dimethylcarbamoyl-2-hydroxy-ethyl)-amide | AS-76559 | 5-Chloro-N-[(1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-1H-indole-2-carboxamide | (R)-(1-methyl-1H-indol-3-yl)(4,5,6,7-tet

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CP-91149

Specifications

Synonymes

5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-benzyl-2-dimethylcarbamoyl-2-hydroxy-ethyl)-amide | AS-76559 | 5-Chloro-N-[(1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-1H-indole-2-carboxamide | (R)-(1-methyl-1H-indol-3-yl)(4,5,6,7-tet

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

CP-91149 is a selective glycogen phosphorylase inhibitor.

Informations juridiques

Sold for only research purposes

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 504764962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764962
• Sourires canoniques: CN(C)C(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O
• IUPAC Name: 5-chloro-N-[(2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
• InChIKey: HINJNZFCMLSBCI-PKOBYXMFSA-N
• INCHI: 1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
• Isomères SMILES: CN(C)C(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O
• WGK Allemagne: 3
• Poids moléculaire: 399.87
• Reaxy-Rn: 13258340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13258340&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: Beta amino acids and derivatives Amphetamines and derivatives Indoles 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Aryl chlorides Monosaccharides N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Beta amino acid or derivatives - Amphetamine or derivatives - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Monosaccharide - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: 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

Cibles associées (humaines)

PYGL Tchem Glycogen phosphorylase, liver form (3 Activities)

Discover Target: PYGL

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SK-HEP1 (1155 Activities)

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HepG2 (196354 Activities)

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Cibles associées (non humaines)

Pygl Liver glycogen phosphorylase (81 Activities)

Discover Target: Pygl

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 80 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Poids moléculaire: 399.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 399.135 Da
• Monoisotopic Mass: 399.135 Da
• Topological Polar Surface Area: 85.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 553.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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