DPPI 1c hydrochloride - ≥96% , CAS No.866396-70-5

CAS: 866396-70-5 Cat. No.: D275611 Fórmula: C14H20N4O2•HCl Peso molecular: 276.333646 PubChem CID: 11381415

GRADE & PURITY ≥96%

Synonyms

(2R,5S)-rel-1-[2-[[1-(Hydroxymethyl)cyclopentyl]amino]acetyl]-2,5-pyrrolidinedicarbonitrile,hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Shipped at room temperature. Store at -20°C.

Specifications

Sinónimos

(2R,5S)-rel-1-[2-[[1-(Hydroxymethyl)cyclopentyl]amino]acetyl]-2,5-pyrrolidinedicarbonitrile,hydrochloride

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

An inhibitor of dipeptidyl peptidase IV (DPP-IV) (IC 50 = 104 nM). It also displays selectivity over enzymes with DPP-like activity (IC 50 > 30 μ M).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥96%

Nombres e identificadores

Sonrisas canónicas

C1CCC(C1)(CO)NCC(=O)N2C(CCC2C#N)C#N.Cl

IUPAC Name

(2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile;hydrochloride

InChIKey

RHCWAHDCHQTNBR-IWKKHLOMSA-N

INCHI

1S/C14H20N4O2.ClH/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14;/h11-12,17,19H,1-6,9-10H2;1H/t11-,12+;

Isómeros SMILES

C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N.Cl

PubChem CID

11381415

Peso molecular

276.333646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Tertiary carboxylic acid amides 1,2-aminoalcohols Nitriles Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - N-acylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - 1,2-aminoalcohol - Carboxamide group - Secondary aliphatic amine - Azacycle - Carbonitrile - Organoheterocyclic compound - Secondary amine - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in water to 50 mM
• Peso molecular: 312.790 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.135 Da
• Monoisotopic Mass: 312.135 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 442.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 866396-70-5, the molecular formula is C14H20N4O2?HCl, and the molecular weight is 276.333646 g/mol. InChIKey RHCWAHDCHQTNBR-IWKKHLOMSA-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.