CP-320626 - Moligand™, ≥98% , CAS No.186430-23-9

CAS: 186430-23-9 Cat. No.: H668287 Molecular Weight: 443.90

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CP-320626 is a potent inhibitor of human liver glycogen phosphorylase (IC50=205 nM). CP320626 reduces blood glucose in diabetic mice without changing plasma insulin levels. CP320626 can be used in the study of type 2 diabetes.

Specifications

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

• ALogP: 3.8

Names and Identifiers

• Canonical Smiles: C1CN(CCC1O)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl
• IUPAC Name: 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• InChIKey: YDCGVASFVACWKF-NRFANRHFSA-N
• INCHI: 1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
• Isomeric SMILES: C1CN(CCC1O)C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl
• Molecular Weight: 443.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid amides Indolecarboxamides and derivatives Amphetamines and derivatives N-acylpiperidines Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Amphetamine or derivatives - N-acyl-piperidine - Indole or derivatives - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Aryl halide - Piperidine - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Associated Targets(Human)

PYGM Tchem Glycogen phosphorylase, muscle form (1 Activities)

Discover Target: PYGM

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

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)

PYGM Tchem Muscle glycogen phosphorylase (197 Activities)

Discover Target: PYGM

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

Associated Targets(non-human)

ERG11 Cytochrome P450 51 (617 Activities)

Discover Target: ERG11

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

Pygl Liver glycogen phosphorylase (81 Activities)

Discover Target: Pygl

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

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 443.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 443.141 Da
• Monoisotopic Mass: 443.141 Da
• Topological Polar Surface Area: 85.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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