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

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: 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
• Molecular Weight: 567.69

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Cruzipain (33337 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 56.77, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.19, Max Conc. mM: 25
• Molecular Weight: 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