J-2156 - Moligand™ , Agonist of SST 4 receptor, CAS No.848647-56-3, Agonist of SST 4 receptor

CAS: 848647-56-3 Cat. No.: J611218 PubChem CID: 11442741

GRADE & PURITY Moligand™

Synonyms

GTPL10115 | J 2156 | UNII-H35JAI9M2X | (S)-4-Amino-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((4-methylnaphthalene)-1-sulfonamido)butanamide | J2156 | J-2156 | (1'S, 2S)-4-amino-N-(1'-carbamoyl-2'-phenylethyl)-2-(4''-methyl-1''-naphthalenesulfonylamino)

Storage

Room temperature

Specifications

Synonyms

GTPL10115 | J 2156 | UNII-H35JAI9M2X | (S)-4-Amino-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((4-methylnaphthalene)-1-sulfonamido)butanamide | J2156 | J-2156 | (1'S, 2S)-4-amino-N-(1'-carbamoyl-2'-phenylethyl)-2-(4''-methyl-1''-naphthalenesulfonylamino)

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of SST 4 receptor

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC(CCN)C(=O)NC(CC3=CC=CC=C3)C(=O)N
• IUPAC Name: (2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide
• InChIKey: VTNCZBXJSGKDLS-SFTDATJTSA-N
• INCHI: 1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
• Isomeric SMILES: CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
• Alternate CAS: 848647-56-3
• PubChem CID: 11442741
• MeSH Entry Terms: (1'S, 2S)-4-amino-N-(1'-carbamoyl-2'-phenylethyl)-2-(4''-methyl-1''-naphthalenesulfonylamino)butanamide;J-2156

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Phenylalanine and derivatives 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonamides N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Organosulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Naphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Organosulfonic acid amide - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Fatty acyl - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Primary aliphatic amine - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: 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

Associated Targets(Human)

SSTR4 Tclin Somatostatin receptor type 4 (2 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 468.600 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 468.183 Da
• Monoisotopic Mass: 468.183 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 763.000
• 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