GSK360A - Moligand™,≥98% , CAS No.931399-19-8

CAS: 931399-19-8 Cat. No.: G339111 Molecular Weight: 348.33

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid | DTXSID10715754 | GSK360A | HY-123422 | N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine | AKOS040748476 | SCHEMBL8243641

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GSK360A is an active HIF-PHD inhibitor. GSK360A has systemic and local effects by stabilizing HIF-1α signaling and can improve long-term ventricular function.

Specifications

Synonyms

2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid | DTXSID10715754 | GSK360A | HY-123422 | N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1, 2-dihydroquinoline-3-carbonyl]glycine | AKOS040748476 | SCHEMBL8243641

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™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C(=O)NCC(=O)O)O
• IUPAC Name: 2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
• InChIKey: TYHRZQVUPPODPT-UHFFFAOYSA-N
• INCHI: 1S/C17H17FN2O5/c18-10-3-4-12-11(7-10)15(23)14(16(24)19-8-13(21)22)17(25)20(12)6-5-9-1-2-9/h3-4,7,9,23H,1-2,5-6,8H2,(H,19,24)(H,21,22)
• Isomeric SMILES: C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C(=O)NCC(=O)O)O
• Molecular Weight: 348.33
• Reaxy-Rn: 12852025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12852025&ln=

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
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Quinoline-3-carboxamides Fluoroquinolones Haloquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinecarboxylic acids and derivatives Pyridinones Hydroxypyridines Aryl fluorides Benzenoids Vinylogous acids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha-amino acid - Quinoline-3-carboxamide - Fluoroquinolone - Haloquinoline - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Quinoline - Pyridine carboxylic acid or derivatives - Pyridinone - Hydroxypyridine - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: n20D1.64 (Predicted)
• Boil Point(°C): ~614.20° C at 760 mmHg (Predicted)
• Melt Point(°C): 194-198° C (dec.)
• Molecular Weight: 348.320 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 348.112 Da
• Monoisotopic Mass: 348.112 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 616.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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