173436-08-3

Basic information

• Product Name: Toluene-4-sulfonic acid 7-[(R)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-2-methyl-3-phenyl-propionylamino]-heptyl ester
• Synonyms: Toluene-4-sulfonic acid 7-[(R)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-2-methyl-3-phenyl-propionylamino]-heptyl ester
• CAS NO: 173436-08-3
• Molecular Weight: 693.905
• Mol File: 173436-08-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Toluene-4-sulfonic acid 7-[(R)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-2-methyl-3-phenyl-propionylamino]-heptyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Toluene-4-sulfonic acid 7-[(R)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-2-methyl-3-phenyl-propionylamino]-heptyl ester(173436-08-3)
• EPA Substance Registry System: Toluene-4-sulfonic acid 7-[(R)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-2-methyl-3-phenyl-propionylamino]-heptyl ester(173436-08-3)

Safety Data

• Hazardous Substances Data: 173436-08-3(Hazardous Substances Data)

Upstream product

• 173436-02-7 (7-hydroxyheptyl)carbamic acid tert-butyl ester 
• 60142-89-4 7-[(tert-butoxycarbonyl)amino]heptanoic acid 
• 19243-04-0 7-amino-1-heptanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 173436-07-2 {(S)-1-[(R)-1-(7-Hydroxy-heptylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester 

Downstream Products

• 176435-76-0 {(S)-1-[(R)-1-(7-Amino-heptylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester 
• 173436-03-8 {(S)-1-[(R)-1-(7-Azido-heptylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester 

Relevant articles and documents

Use of a dipeptide chemical library in the development of non-peptide tachykinin NK3 receptor selective antagonists

The use of a dipeptide library as the source of a micromolar chemical lead compound for the human tachykinin NK3 receptor is described. The screening of a dipeptide library through a cloned human NK3 receptor binding assay resulted in the identification of Boc(S)Phe(S)PheNH2 (1), which has subsequently been developed, following a 'peptoid' design strategy, into a series of high-affinity NK3 receptor selective antagonists. The structure- activity relationship of the C-terminal portion of this dipeptide lead was first explored and led to the identification of the urea derivative Boc(S)Phe(R)αMePheNH(CH2)7NHCONH2 (41, PD157672). This modified dipeptide has a K(o) of 7 nM in blocking senktide-induced increases in intracellular calcium levels in human NK3 receptors stably expressed in CHO cells. Subsequent optimization of the N-terminal BocPhe group and the αMePhe residue side chain of 41 led to the identification of [S-(R*,S*)]-[2-(2,3- difluorophenyl)-1-methyl-1-[(7-ureidoheptyl)carbamoyl]ethyl]carbamic acid 2- methyl-1-phenylpropyl ester (60, PD161182), a non-peptide NK3 receptor selective antagonist. Compound 60 blocks the senktide-evoked increases in intracellular calcium levels in cloned human NK3 receptors stably expressed in CHO cells with K(e) of 0.9 nM.