L-779,976 - Moligand™ , Agonist of SST 2 receptor, CAS No.L611418, Agonist of SST 2 receptor

CAS: L611418 Cat. No.: L611418 PubChem CID: 5311372

GRADE & PURITY Moligand™

Synonyms

L 779976;L-779976

Storage

Room temperature

Specifications

Synonyms

L 779976;L-779976

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of SST 2 receptor

Names and Identifiers

• Canonical Smiles: NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
• IUPAC Name: N-[(2R,3S)-1-[[(1R,3R)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
• InChIKey: DDVPVAOEMZRZQU-JONNCTARSA-N
• INCHI: 1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t21-,22+,23+,30+/m0/s1
• Isomeric SMILES: C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)NC[C@@H]3CCC[C@H](C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O
• PubChem CID: 5311372

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-carbamoyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-carbamoyl-alpha amino acids and derivatives
• Alternative Parents: Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Piperidinecarboxamides Benzimidazoles Substituted pyrroles N-substituted imidazoles N-acyl amines Benzenoids Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-carbamoyl-alpha-amino acid or derivatives - Triptan - Alpha-amino acid amide - 3-alkylindole - Piperidinecarboxamide - 1-piperidinecarboxamide - Indole or derivatives - Indole - Benzimidazole - Fatty acyl - Benzenoid - Substituted pyrrole - Piperidine - N-substituted imidazole - N-acyl-amine - Fatty amide - Heteroaromatic compound - Pyrrole - Imidazole - Azole - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
• 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)

SSTR2 Tclin Somatostatin receptor type 2 (3 Activities)

Discover Target: SSTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)