Ceruletide diethylamine , Cholecystokinin A receptor agonist, CAS No.71247-25-1, Cholecystokinin A receptor agonist

CAS: 71247-25-1 Cat. No.: C671137 Peso molecular: 1425.5

Synonyms

Ceruletide diethylamine | Ceruletide diethylamine [USAN:JAN] | CHEBI:59223 | UNII-4E1MIA8QQL | CERULETIDE DIETHYLAMINE [WHO-DD] | Ceruletide diethylamine (USAN) | Tymtran | CHEMBL1200755 | 883-S | Caerulein compound with diethylamine | D03443 | 5-OXO-L-PR

Storage

Room temperature

Specifications

Sinónimos

Ceruletide diethylamine | Ceruletide diethylamine [USAN:JAN] | CHEBI:59223 | UNII-4E1MIA8QQL | CERULETIDE DIETHYLAMINE [WHO-DD] | Ceruletide diethylamine (USAN) | Tymtran | CHEMBL1200755 | 883-S | Caerulein compound with diethylamine | D03443 | 5-OXO-L-PR

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

AGONIST

Mecanismo de acción

Cholecystokinin A receptor agonist

Nombres e identificadores

• Sonrisas canónicas: CCNCC.CC(C(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5)O
• IUPAC Name: (3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-y
• InChIKey: FHDKSYKZXIFRKJ-CBCFNHQSSA-N
• INCHI: 1S/C58H73N13O21S2.C4H11N/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2
• Isómeros SMILES: CCNCC.C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O
• Peso molecular: 1425.5
• Reaxy-Rn: 32855797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32855797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Clase Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Clase: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Phenylalanine and derivatives Glutamine and derivatives Aspartic acid and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Tryptamines and derivatives Phenylsulfates Amphetamines and derivatives 3-alkylindoles Pyrrolidinecarboxamides Phenoxy compounds Pyrrolidine-2-ones Substituted pyrroles Dicarboxylic acids and derivatives N-acyl amines Sulfuric acid monoesters Heteroaromatic compounds Secondary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Lactams Dialkylthioethers Dialkylamines Carboxylic acids Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Polypeptide - Alpha peptide - Phenylalanine or derivatives - Glutamine or derivatives - Aspartic acid or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Triptan - Phenylsulfate - Arylsulfate - Amphetamine or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - N-substituted-alpha-amino acid - Indole or derivatives - Indole - Phenoxy compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Pyrrolidine - Heteroaromatic compound - Pyrrole - Organic sulfuric acid or derivatives - Secondary alcohol - Lactam - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Secondary aliphatic amine - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Thioether - Carboxylic acid - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: organoammonium salt

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