Tabimorelin hemifumarate - ≥98%(HPLC) , CAS No.242143-80-2

CAS: 242143-80-2 Cat. No.: T287061 Fórmula: C₃₂H₄₀N₄O₃.½C₄H₄O₄ Peso molecular: 586.73 PubChem CID: 11981159

GRADE & PURITY ≥98%(HPLC)

Synonyms

NN 703 | N-[(2E)-5-Amino-5-methyl-1-oxo-2-hexenyl]-N-methyl-3-(2-naphthalenyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide hemifumarate

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

NN 703 | N-[(2E)-5-Amino-5-methyl-1-oxo-2-hexenyl]-N-methyl-3-(2-naphthalenyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide hemifumarate

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent, orally active ghrelin receptor (GHS-R1a) agonist (Ki= 50 nM at human recombinant GHS-R1a). Stimulates GH release from rat pituitary cells with an EC50value of 2.7 nM. Induces hyperphagia and adiposity in lean rats, but not in leptin signaling-defi

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.C(=CC(=O)O)C(=O)O

IUPAC Name

(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide;(E)-but-2-enedioic acid

InChIKey

YQDJPWXYLLPOPW-LWTUVRFUSA-N

INCHI

1S/2C32H40N4O3.C4H4O4/c2*1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23;5-3(6)1-2-4(7)8/h2*6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38);1-2H,(H,5,6)(H,7,8)/b2*16-11+;2-1+/t2*27-,28-;/m11./s1

SMILES isoméricas

CC(N)(C/C=C/C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NC)CC1=CC=CC=C1)C)CC2=CC3=CC=CC=C3C=C2)C)C.CC(N)(C/C=C/C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NC)CC1=CC=CC=C1)C)CC2=CC3=CC=CC=C3C=C2)C)C.C(=C/C(=O)O)\C(=O)O

PubChem CID

11981159

Peso molecular

586.73

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: Phenylalanine and derivatives Naphthalenes Amphetamines and derivatives Unsaturated fatty acids N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic 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

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 5.29, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 58.67, Max Conc. mM: 100
• Peso molecular: 1173.400 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 24
• Exact Mass: 1172.63 Da
• Monoisotopic Mass: 1172.63 Da
• Topological Polar Surface Area: 266.000 Ų
• Heavy Atom Count: 86
• Formal Charge: 0
• Complexity: 969.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 3

XLogP3

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 room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 242143-80-2, the molecular formula is C??H??N?O?.?C?H?O?, and the molecular weight is 586.73 g/mol. InChIKey YQDJPWXYLLPOPW-LWTUVRFUSA-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.