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[(3S,6S,9S,12R,15S,18S,20S)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphtha, Somatostatin receptor 1 agonist

Molecular Weight: 1435.6
PubChem CID: 118753638

In stock

Item Number

S671315

Grouped product items
SKU	Size	Availability	Price	Qty
S671315-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	CHEMBL3545188
Action Type	AGONIST
Mechanism of action	Somatostatin receptor 1 agonist

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 Macrolactams Naphthalenecarboxylic acids Naphthols and derivatives Salicylic acid and derivatives Alpha amino acids and derivatives 3-alkylindoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Dicarboxylic acids and derivatives Substituted pyrroles Vinylogous acids Tertiary carboxylic acid amides Pyrrolidines Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic oxides
Molecular Framework	Not available
Substituents	Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - Naphthalene - Indole - Indole or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary amine - Organooxygen 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
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

Names and Identifiers

IUPAC Name	[(3S,6S,9S,12R,15S,18S,20S)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphtha
INCHI	InChI=1S/C58H66N10O9.C23H16O6/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45
InChIKey	HSXBEUMRBMAVDP-NEOZNVFSSA-N
Smiles	C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
Isomeric SMILES	C1[C@@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
PubChem CID	118753638
Molecular Weight	1435.6

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