21163-42-8

Basic information

• Product Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl -butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propano ic acid
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl -butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propano ic acid;cholecystokinin hexapeptide
• CAS NO: 21163-42-8
• Molecular Formula: C₃₆H₄₈N₈O₈S₂
• Molecular Weight: 784.9451
• Mol File: 21163-42-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 1282.9°Cat760mmHg
• Flash Point: 729.7°C
• Appearance: /
• Density: 1.343g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.629
• CAS DataBase Reference: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl -butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propano ic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl -butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propano ic acid(21163-42-8)
• EPA Substance Registry System: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl -butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propano ic acid(21163-42-8)

Safety Data

• Hazardous Substances Data: 21163-42-8(Hazardous Substances Data)

Usage

General Description

The chemical compound "(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl] amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]propanoic acid" is a complex peptide with multiple amino acid residues. It contains various functional groups, including carboxylic acid, amine, and thiol groups. The compound has a long and extremely specific structure, making it difficult to synthesize and characterize. Its precise biological activities and physiological roles have not been fully elucidated, but it likely plays a role in protein-protein interactions or enzymatic processes.

InChI:InChI=1/C36H48N8O8S2/c1-53-14-12-24(37)33(49)40-20-30(45)41-28(17-22-19-39-25-11-7-6-10-23(22)25)35(51)42-26(13-15-54-2)34(50)44-29(18-31(46)47)36(52)43-27(32(38)48)16-21-8-4-3-5-9-21/h3-11,19,24,26-29,39H,12-18,20,37H2,1-2H3,(H2,38,48)(H,40,49)(H,41,45)(H,42,51)(H,43,52)(H,44,50)(H,46,47)/t24-,26-,27-,28-,29-/m0/s1

Upstream product

• 2488-15-5 N-tert-butoxycarbonyl-L-methionine 
• 103088-16-0 Boc-Met-Gly-OCp 
• 16948-13-3 Boc-Met-OTcp 
• 23446-03-9 2-((2S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanamido)acetic acid 
• 23446-11-9 tert-butyloxycarbonylmethionyl-glycyl-tryptophyl-methionyl-aspartyl-phenylalanine amide 
• 68763-45-1 N-(tert-Butoxycarbonyl)-β-benzyl-L-aspartyl-L-phenylalanine 
• 13734-34-4 N-tert-butoxycarbonyl-L-phenylalanine 

Downstream Products

• 67105-75-3 Boc-Tyr(SO₃Na)-Met-Gly-Trp-Met-Asp-Phe-NH₂ (Boc-CCK-7) 
• 72163-37-2 β-(4-hydroxyphenyl)propionyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-aspartyl-L-phenylalanine amide 

Relevant articles and documents

CHOLECYSTOKININ HEPTAPEPTIDE ANALOGUES WITH MULTIPLE MODIFICATION IN PEPTIDE CHAIN

Using solid phase synthesis we prepared the cholecystokinin fragment Boc-CCK-7 (Boc-Tyr(SO3-Na+)-Met-Gly-Trp-Met-Asp-Phe-NH2) Ia and its seven analogues Ib - Ih.In the analogues Ib and Ic the Met residue in the carboxyterminal part of the molecule was substituted for L- or D-PheMe3.In the analogues Id and Ie with Phe residue substituted by L- or D-PheMe3 the Neo was inserted in the place of this Met residue and in the analogues If and Ig, in addition to PheMe3 substitution in the carboxyterminus, both Met residues were replaced for Neo.This dual substitution for Met residues was also applied in the analogue Ih with coded Phe residue in the C-terminus.