GPi 688 - ≥99%(HPLC) , CAS No.918902-32-6

CAS: 918902-32-6 Cat. No.: G287575 Summenformel: C₁₉H₁₈ClN₃O₄S Molekulargewicht: 419.88

GRADE & PURITY ≥99%(HPLC)

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

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Allosteric glycogen phosphorylase inhibitor; acts at the indole site of glycogen phosphorylase. Inhibits Glukagon-mediated hyperglycemiain vivoin the rat.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: C1C(C(=O)N(C2=CC=CC=C21)CC(CO)O)NC(=O)C3=CC4=C(N3)SC(=C4)Cl
• 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
• InChIKey: UICNBXVDHCBKCE-PUODRLBUSA-N
• 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
• Isomere SMILES: C1C(C(=O)N(C2=CC=CC=C21)C[C@H](CO)O)NC(=O)C3=CC4=C(N3)SC(=C4)Cl
• Molekulargewicht: 419.88
• Reaxy-Rn: 12231679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12231679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PYGL Tchem Glycogen phosphorylase, liver form (1 Activities)

Discover Target: PYGL

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Caco-2 (12174 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

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

Rattus norvegicus (775804 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 41.99, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 10.5, Max Conc. mM: 25
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 918902-32-6, the molecular formula is C19H18ClN3O4S, and the molecular weight is 419.88 g/mol. InChIKey UICNBXVDHCBKCE-PUODRLBUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.