L-692,585 - ≥98%(HPLC) , CAS No.145455-35-2

CAS: 145455-35-2 Cat. No.: L286694 Fórmula: C₃₂H₃₇N₇O₃ Peso molecular: 567.69 PubChem CID: 9872740

GRADE & PURITY ≥98%(HPLC)

Synonyms

BRD-K70241288-001-01-1 | J-008115 | 3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide | CID 9872740 | DTXSID40432124 | L-692,585 | BDBM50403628 | L692585 | L

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BRD-K70241288-001-01-1 | J-008115 | 3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide | CID 9872740 | DTXSID40432124 | L-692,585 | BDBM50403628 | L692585 | L

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Highly potent, non-peptide ghrelin receptor (GHS-R1a) agonist (Ki= 0.8 nM). Increases plasma GH levelsin vivoand is 2- to 2.5-fold more potent than GHRP-6.

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

CC(CNC(C)(C)CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O

IUPAC Name

3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

InChIKey

AYBCFPXLXOLPIZ-JIPXPUAJSA-N

INCHI

1S/C32H37N7O3/c1-21(40)19-33-32(2,3)18-29(41)34-27-17-16-24-8-4-7-11-28(24)39(31(27)42)20-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30-35-37-38-36-30/h4-15,21,27,33,40H,16-20H2,1-3H3,(H,34,41)(H,35,36,37,38)/t21-,27-/m1/s1

SMILES isoméricas

C[C@H](CNC(C)(C)CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O

PubChem CID

9872740

Peso molecular

567.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Phenyltetrazoles and derivatives Benzazepines Beta amino acids and derivatives Azepines N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Lactams Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hybrid peptide - N-acyl-alpha amino acid or derivatives - Biphenyl - Benzazepine - Beta amino acid or derivatives - Phenyltetrazole - Alpha-amino acid or derivatives - Azepine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Secondary alcohol - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - 1,2-aminoalcohol - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through 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 (humanos)

GHRHR Tclin Growth hormone-releasing hormone receptor (2 Activities)

Discover Target: GHRHR

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

GHSR Tclin Ghrelin receptor (6229 Activities)

Discover Target: GHSR

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

Alvos associados (não humanos)

Cruzipain (33337 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 56.77, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.19, Max Conc. mM: 25
• Peso molecular: 567.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 567.296 Da
• Monoisotopic Mass: 567.296 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 895.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 145455-35-2, the molecular formula is C??H??N?O?, and the molecular weight is 567.69 g/mol. InChIKey AYBCFPXLXOLPIZ-JIPXPUAJSA-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.