BIM 23056 - Moligand™, ≥98% , Agonist of SST 2 receptor;Agonist of SST 3 receptor;Agonist of SST 5 receptor;Antagonist of SST 5 receptor, CAS No.150155-61-6, Agonist of SST 2 receptor;Agonist of SST 3 receptor;Agonist of SST 5 receptor;Antagonist of SST 5 receptor

CAS: 150155-61-6 Cat. No.: B275021 Molecular Weight: 1232.49 PubChem CID: 16133799

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Potent, selective somatostatin receptor 5 (sst 5 ) antagonist (K i values are 5.7 (sst 5 ), 10.8 (sst 3 ), 16.6 (sst 4 ), 142 (sst 1 ) and >1000 nM (sst 2 ) for human cloned receptors).

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST, ANTAGONIST

Mechanism of action

Agonist of SST 2 receptor;Agonist of SST 3 receptor;Agonist of SST 5 receptor;Antagonist of SST 5 receptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768063
• Canonical Smiles: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CC=CC=C8)N
• IUPAC Name: (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
• InChIKey: VPTPBEUWKCLZGU-OOSWLFMASA-N
• INCHI: 1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@@H](CC8=CC=CC=C8)N
• PubChem CID: 16133799
• Molecular Weight: 1232.49

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Naphthalenes Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Naphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Substituted pyrrole - N-acyl-amine - Fatty amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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 (0 Activities)

Discover Target: SSTR2

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

SSTR3 Tclin Somatostatin receptor type 3 (0 Activities)

Discover Target: SSTR3

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

SSTR5 Tclin Somatostatin receptor type 5 (0 Activities)

Discover Target: SSTR5

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 1:2 acetonitrile/water to 20 mg/ml
• Sensitivity: Moisture sensitive
• Molecular Weight: 1232.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 32
• Exact Mass: 1231.62 Da
• Monoisotopic Mass: 1231.62 Da
• Topological Polar Surface Area: 335.000 Ų
• Heavy Atom Count: 91
• Formal Charge: 0
• Complexity: 2320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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