Home > Products > Screening Compounds P109830 > Seglitide

Seglitide

Catalog Number: EVT-242122

CAS Number: 81377-02-8

Molecular Formula: C44H56N8O7

Molecular Weight: 809 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Seglitide is a peptide drug that has gained attention in recent years due to its potential therapeutic applications. It is a synthetic analogue of the natural peptide hormone somatostatin, which regulates the secretion of various hormones in the body. Seglitide has been shown to have a high affinity for somatostatin receptors and can be used to treat a variety of medical conditions.

Properties

CAS Number

81377-02-8

Product Name

Seglitide

IUPAC Name

(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Molecular Formula

C44H56N8O7

Molecular Weight

809 g/mol

InChI

InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1

InChI Key

NPJIOCBFOAHEDO-AVWFULIKSA-N

SMILES

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O

Synonyms

cyclo(MATTLVP)
cyclo(N-Me-Ala-Tyr-Trp-Lys-Val-Phe)
cyclo(N-methylalanyl-tyrosyl-tryptophyl-lysyl-valyl-phenylalanyl)
L 363586
L-363586
MK 678
MK-678
seglitide
seglitide acetate
seglitide monoacetate

Canonical SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)N=C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C=O)N=C

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