Lanreotide - Moligand™, 10mM in DMSO , Agonist of SST 2 receptor;Agonist of SST 3 receptor;Agonist of SST 5 receptor, CAS No.108736-35-2, Agonist of SST 2 receptor;Agonist of SST 3 receptor;Agonist of SST 5 receptor

CAS: 108736-35-2 Cat. No.: L420555 Molecular Weight: 1096.33 EC Number: 689-178-4

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Lanreotide|Lanreotide acetate|127984-74-1|108736-35-2|10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dith

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Specifications

Synonyms

Lanreotide | Lanreotide acetate | 127984-74-1 | 108736-35-2 | 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-7-propan-2-yl-1, 2-dith

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Somatostatin receptor analog (IC 50 values are >1000 (sst 1 ), 1.1 (sst 2 ), 15 (sst 3 ), 22 (sst 4 ) and 21 nM (sst 5 )). Reduces hormone production in neuroendocrine tumors. Active in vivo .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

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

Names and Identifiers

• Pubchem Sid: 528770107
• Canonical Smiles: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N
• IUPAC Name: 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
• InChIKey: PUDHBTGHUJUUFI-UHFFFAOYSA-N
• INCHI: 1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)
• Isomeric SMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N
• Molecular Weight: 1096.33
• Reaxy-Rn: 24967672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24967672&ln=

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: Cyclic peptides N-acyl-alpha amino acids and derivatives Macrolactams Alpha amino acid amides 3-alkylindoles Naphthalenes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Substituted pyrroles Benzene and substituted derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Organic disulfides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - 3-alkylindole - Indole or derivatives - Indole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Substituted pyrrole - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Lactam - Carboxamide group - Organic disulfide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - 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)

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 1096.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 17
• Exact Mass: 1095.47 Da
• Monoisotopic Mass: 1095.47 Da
• Topological Polar Surface Area: 406.000 Ų
• Heavy Atom Count: 77
• Formal Charge: 0
• Complexity: 2000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 9
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1