L-054,522 - Moligand™ , Agonist of SST 2 receptor, CAS No.L611369, Agonist of SST 2 receptor

CAS: L611369 Cat. No.: L611369 PubChem CID: 15965425

GRADE & PURITY Moligand™

Synonyms

AKOS040748694 | UNII-7W8X3AXG75 | CID 15965425 | (.BETA.S)-N-((4-(2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-1-YL)-1-PIPERIDINYL)CARBONYL)-.BETA.-METHYL-D-TRYPTOPHYL-L-LYSINE 1,1-DIMETHYLETHYL ESTER | 7W8X3AXG75 | L-Lysine, (betaS)-N-((4-(2,3-dihydro-2-oxo-1H-benz

Storage

Room temperature

Specifications

Synonyms

AKOS040748694 | UNII-7W8X3AXG75 | CID 15965425 | (.BETA.S)-N-((4-(2, 3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-1-YL)-1-PIPERIDINYL)CARBONYL)-.BETA.-METHYL-D-TRYPTOPHYL-L-LYSINE 1, 1-DIMETHYLETHYL ESTER | 7W8X3AXG75 | L-Lysine, (betaS)-N-((4-(2, 3-dihydro-2-oxo-1H-benz

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of SST 2 receptor

Names and Identifiers

• Canonical Smiles: NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
• IUPAC Name: tert-butyl (2S)-6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate
• InChIKey: WFCIXKAZBUIFTR-PKIMSIDOSA-N
• INCHI: 1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
• Isomeric SMILES: C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O
• PubChem CID: 15965425

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Alpha amino acid esters N-acyl-alpha amino acids and derivatives N-carbamoyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Piperidinecarboxamides Benzimidazoles Fatty acid esters N-substituted imidazoles Substituted pyrroles N-acyl amines Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha peptide - Alpha-amino acid ester - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Benzimidazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Indole - Fatty acid ester - Piperidine - N-acyl-amine - N-substituted imidazole - Substituted pyrrole - Fatty acyl - Fatty amide - Benzenoid - Imidazole - Pyrrole - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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)

SSTR3 Tclin Somatostatin receptor type 3 (1 Activities)

Discover Target: SSTR3

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

SSTR4 Tclin Somatostatin receptor type 4 (1 Activities)

Discover Target: SSTR4

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

SSTR2 Tclin Somatostatin receptor 2 (1526 Activities)

Discover Target: SSTR2

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

SSTR4 Tclin Somatostatin receptor 4 (1125 Activities)

Discover Target: SSTR4

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

Associated Targets(non-human)

Sstr5 Somatostatin receptor 5 (112 Activities)

Discover Target: Sstr5

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

Sstr1 Somatostatin receptor 1 (1 Activities)

Discover Target: Sstr1

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

Mechanisms of Action