NVP DPP 728 dihydrochloride - ≥97%(HPLC) , CAS No.207556-62-5

CAS: 207556-62-5 Cat. No.: N287569 Molecular Weight: 371.27 PubChem CID: 9799555

GRADE & PURITY ≥97%(HPLC)

Synonyms

J-015631 | NVP-DPP728 dihydrochloride | dpp-728 | NVP-DPP728 (dihydrochloride) | HY-14293 | NVP DPP 728 DIHYDROCHLORIDE | NVP-DPP 728 | PWKTKAMJUR | 6-[[2-[[2-(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl]amino]ethyl]amino-3-pyridinecarbononitriledihydrochlorid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J-015631 | NVP-DPP728 dihydrochloride | dpp-728 | NVP-DPP728 (dihydrochloride) | HY-14293 | NVP DPP 728 DIHYDROCHLORIDE | NVP-DPP 728 | PWKTKAMJUR | 6-[[2-[[2-(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl]amino]ethyl]amino-3-pyridinecarbononitriledihydrochlorid

Specifications & Purity

≥97%(HPLC)

Biochemical and Physiological Mechanisms

Potent, orally active dipeptidyl peptidase (DPP)-IV inhibitor (Ki= 11 nM, IC50= 14 nM) that displays > 15 000-fold selectivity over DPP-II and a range of proline-cleaving proteases. Exhibits antidiabetic activityin vivo; improves glucose tolerance, increa

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.

Action Type

INHIBITOR

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(N(C1)C(=O)CNCCNC2=NC=C(C=C2)C#N)C#N.Cl.Cl
• IUPAC Name: 6-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile;dihydrochloride
• InChIKey: VNACOBVZDCLAEV-GXKRWWSZSA-N
• INCHI: 1S/C15H18N6O.2ClH/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17;;/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20);2*1H/t13-;;/m0../s1
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)CNCCNC2=NC=C(C=C2)C#N)C#N.Cl.Cl
• PubChem CID: 9799555
• Molecular Weight: 371.27

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: N-acylpyrrolidines 3-pyridinecarbonitriles Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - N-acylpyrrolidine - 3-pyridinecarbonitrile - Aminopyridine - Pyridine - Imidolactam - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Amine - Carbonyl group - Hydrochloride - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: 37.13, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 37.13, Max Conc. mM: 100
• Molecular Weight: 371.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 370.108 Da
• Monoisotopic Mass: 370.108 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 475.000
• 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: 3

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