Anagliptin - Moligand™, ≥97% , Inhibitor of dipeptidyl peptidase 4, CAS No.739366-20-2, Inhibitor of dipeptidyl peptidase 4

CAS: 739366-20-2 Cat. No.: A413364 Peso molecular: 383.45

GRADE & PURITY Moligand™, ≥97%

Synonyms

GTPL11582 | MS-26302 | N-[2-({2-[(2s)-2-Cyanopyrrolidin-1-Yl]-2-Oxoethyl}amino)-2-Methylpropyl]-2-Methylpyrazolo[1,5-A]pyrimidine-6-Carboxamide | NCGC00484798-01 | CWP-403 | Pyrazolo(1,5-a)pyrimidine-6-carboxamide, N-(2-((2-((2S)-2-cyano-1-pyrrolidinyl)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Anagliptin Anagliptin is an orally active and highly selective dipeptidyl peptidase-4 (DPP-4) inhibitor and exerts anti-inflammatory effects on macrophages, adipocytes, and mouse livers by suppressing NF-κB activation.

Specifications

Sinónimos

GTPL11582 | MS-26302 | N-[2-({2-[(2s)-2-Cyanopyrrolidin-1-Yl]-2-Oxoethyl}amino)-2-Methylpropyl]-2-Methylpyrazolo[1, 5-A]pyrimidine-6-Carboxamide | NCGC00484798-01 | CWP-403 | Pyrazolo(1, 5-a)pyrimidine-6-carboxamide, N-(2-((2-((2S)-2-cyano-1-pyrrolidinyl)-2

Especificaciones y pureza

Moligand™, ≥97%

Mecanismos bioquímicos y fisiológicos

Anagliptin is an orally active and highly selective dipeptidyl peptidase-4 (DPP-4) inhibitor and exerts anti-inflammatory effects on macrophages, adipocytes, and mouse livers by suppressing NF-κB activation.

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of dipeptidyl peptidase 4

Pureza

≥97%

Propiedades del producto

• ALogP: -0.629
• hba_count: 4
• Recuento HBD: 2
• Enlace rotable: 6

Nombres e identificadores

• Pubchem Sid: 504770355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770355
• Sonrisas canónicas: CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCCC3C#N
• IUPAC Name: N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• InChIKey: LDXYBEHACFJIEL-HNNXBMFYSA-N
• INCHI: 1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
• Isómeros SMILES: CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
• Peso molecular: 383.45
• Reaxy-Rn: 40440081
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40440081&ln=

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: Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines N-acylpyrrolidines Vinylogous amides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazolo[1,5-a]pyrimidine - Pyrimidine-5-carboxylic acid or derivatives - N-acylpyrrolidine - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrazole - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic 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

Objetivos asociados (humanos)

DPP4 Tclin Dipeptidyl peptidase 4 (0 Activities)

Discover Target: DPP4

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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 77 mg/mL (200.8 mM); Ethanol: 77 mg/mL (200.8 mM); Water: 20 mg/mL (52.15 mM)
• DMSO (mg/ml) Solubilidad máxima: 77
• DMSO (mM) Solubilidad máxima: 200.808449602295
• Agua (mg/ml) Solubilidad máxima: 20
• Agua (mM) Solubilidad máxima: 52.158038857739
• Peso molecular: 383.400 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 383.207 Da
• Monoisotopic Mass: 383.207 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 643.000
• 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: 1