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GPi 688 - ≥99%(HPLC), high purity , CAS No.918902-32-6
Allosteric glycogen phosphorylase inhibitor
Basic Description
Synonyms
2-Chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-1,2,3,4-tetrahydro-2-oxo-3-quinolinyl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
Allosteric glycogen phosphorylase inhibitor; acts at the indole site of glycogen phosphorylase. Inhibits Glukagon-mediated hyperglycemiain vivoin the rat.
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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
Hydroquinolones Hydroquinolines Thienopyrroles 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Aryl chlorides Benzenoids Tertiary carboxylic acid amides Azoles Heteroaromatic compounds Secondary carboxylic acid amides 1,2-diols Secondary alcohols Lactams Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Tetrahydroquinolone - Quinolone - Tetrahydroquinoline - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl chloride - Substituted pyrrole - Benzenoid - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Pyrrole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - 1,2-diol - Lactam - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
INCHI
InChI=1S/C19H18ClN3O4S/c20-16-7-11-6-13(22-18(11)28-16)17(26)21-14-5-10-3-1-2-4-15(10)23(19(14)27)8-12(25)9-24/h1-4,6-7,12,14,22,24-25H,5,8-9H2,(H,21,26)/t12-,14?/m1/s1
InChIKey
UICNBXVDHCBKCE-PUODRLBUSA-N
Smiles
C1C(C(=O)N(C2=CC=CC=C21)CC(CO)O)NC(=O)C3=CC4=C(N3)SC(=C4)Cl
Isomeric SMILES
C1C(C(=O)N(C2=CC=CC=C21)C[C@H](CO)O)NC(=O)C3=CC4=C(N3)SC(=C4)Cl
Molecular Weight
419.88
Reaxy-Rn
12231679
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12231679&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 41.99, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 10.5, Max Conc. mM: 25
Molecular Weight
419.900 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
419.071 Da
Monoisotopic Mass
419.071 Da
Topological Polar Surface Area
134.000 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
612.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
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