Lanreotide acetate - Moligand™, ≥95% , CAS No.108736-35-2(free base)

CAS: 108736-35-2(free base) Cat. No.: L1527881 Molecular Weight: 1096.33(free base)

GRADE & PURITY Moligand™, ≥95%

Storage

Protected from light,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™, ≥95%

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

Protected from light, 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™

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

≥95%

Names and Identifiers

• 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)
• Molecular Weight: 1096.33(free base)

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

Chemical and Physical Properties

• Solubility: Soluble in water
• 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