CP-91149 - ≥99% , CAS No.186392-40-5

CAS: 186392-40-5 Cat. No.: E129719 Formula: C₂₁H₂₂ClN₃O₃ Peso molecolare: 399.87 Numero EC: 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

Panoramica

CP-91149

Specifications

Sinonimi

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

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

CP-91149 is a selective glycogen phosphorylase inhibitor.

Informazioni legali

Sold for only research purposes

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504764962

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764962

Sorrisi canonici

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

Isomeri 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 Germania

3

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

PYGL Tchem Glycogen phosphorylase, liver form (3 Activities)

Discover Target: PYGL

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

SK-HEP1 (1155 Activities)

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

HepG2 (196354 Activities)

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

Obiettivi associati (non umani)

Pygl Liver glycogen phosphorylase (81 Activities)

Discover Target: Pygl

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Staphylococcus aureus (210822 Activities)

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

Escherichia coli (133304 Activities)

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

Bacillus subtilis (32866 Activities)

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Mus musculus (284745 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO 80 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecolare: 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