GAP-134 , CAS No.943134-39-2

CAS: 943134-39-2 Cat. No.: G126343 Fórmula: C₁₄H₁₇N₃O₄ Peso molecular: 291.3

Synonyms

DB11821 | DTXSID201026039 | Q27286426 | [2s,4r]-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid | US9345789, Z-DEVD-FMK | A917262 | (2S,4R)-4-benzamido-1-glycylpyrrolidine-2-carboxylic acid | Danegaptide (USAN/INN) | UNII-PA0Y7735AT | (2S,4R)-1

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Especificações

Sinónimos

DB11821 | DTXSID201026039 | Q27286426 | [2s,4r]-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid | US9345789, Z-DEVD-FMK | A917262 | (2S,4R)-4-benzamido-1-glycylpyrrolidine-2-carboxylic acid | Danegaptide (USAN/INN) | UNII-PA0Y7735AT | (2S,4R)-1

Mecanismos bioquímicos e fisiológicos

O desacoplamento da junção Gap pode alterar as vias de condução e promover mecanismos de reentrada cardíaca que potenciam muitas arritmias supraventriculares, como a fibrilhação auricular (FA) e o flutter auricular (AFL). O GAP-134 (Daneg

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

MODULATOR

Nomes e identificadores

Sorrisos canónicos

C1C(CN(C1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2

IUPAC Name

(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid

InChIKey

BIZKIHUJGMSVFD-MNOVXSKESA-N

INCHI

1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1

SMILES isoméricas

C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2

Peso molecular

291.3

Reaxy-Rn

12905325

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12905325&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Benzamides Pyrrolidine carboxylic acids N-acylpyrrolidines Benzoyl derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acylpyrrolidine - Benzoyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO
• Peso molecular: 291.300 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 291.122 Da
• Monoisotopic Mass: 291.122 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 420.000
• 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: 1

Perguntas frequentes

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 943134-39-2, the molecular formula is C14H17N3O4, and the molecular weight is 291.3 g/mol. InChIKey BIZKIHUJGMSVFD-MNOVXSKESA-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.