173850-08-3

Basic information

• Product Name: 4-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-ylethynyl]-benzoic acid methyl ester
• Synonyms: 4-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-ylethynyl]-benzoic acid methyl ester
• CAS NO: 173850-08-3
• Molecular Weight: 546.604
• Mol File: 173850-08-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-ylethynyl]-benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-ylethynyl]-benzoic acid methyl ester(173850-08-3)
• EPA Substance Registry System: 4-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-ylethynyl]-benzoic acid methyl ester(173850-08-3)

Safety Data

• Hazardous Substances Data: 173850-08-3(Hazardous Substances Data)

Upstream product

• 98-59-9 p-toluenesulfonyl chloride 
• 143682-15-9 6-iodo-4(3H)-oxo-2-pivaloylamino-7H-pyrrolo<2,3-d>pyrimidine 
• 3034-86-4 4-ethynylbenzoic acid methyl ester 
• 173850-07-2 2-(pivaloylamino)-4(3H)-oxo-6-iodo-7-tosyl-7H-pyrrolo<2,3-d>pyrimidine 

Downstream Products

• 173850-11-8 4-<2-(2-amino-4(3H)-oxo-5,6-dihydro-7H-pyrrolo<2,3-d>pyrimidin-6-yl)ethyl>benzoic acid 
• 173850-10-7 4-{2-[2-(2,2-Dimethyl-propionylamino)-4-oxo-7-(toluene-4-sulfonyl)-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl]-ethyl}-benzoic acid methyl ester 

Relevant articles and documents

Synthesis of N-{4-[2-(2-amino-5,6-dihydro-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-y l)-ethyl]benzoyl}-L-glutamic acid: A ring-contracted analogue of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid

This paper describes the synthesis of N-{4-[2-(2-amino-5,6-dihydro-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-y l)ethyl]benzoyl}-L-glutamic acid (4), which can be viewed as a ring-contracted analogue of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF, 1) in which the C-7 methylene group of the latter has been excised and C-6 joined to N-8. This compound exhibits significant activity as an inhibitor of the growth of human (CCRF-CEM) lymphoblastic leukemic cells in vitro and apparently acts by blocking de novo purine biosynthesis through inhibition of glycinamide ribonucleotide formyltransferase (GAR FTase).