13996-08-2

Basic information

• Product Name: 5-Pyrimidinecarbonitrile, 1,4-dihydro-2,6-diphenyl-4-thioxo-
• CAS NO: 13996-08-2
• Molecular Formula: C17H11N3S
• Molecular Weight: 289.36
• Mol File: 13996-08-2.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 5-Pyrimidinecarbonitrile, 1,4-dihydro-2,6-diphenyl-4-thioxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Pyrimidinecarbonitrile, 1,4-dihydro-2,6-diphenyl-4-thioxo-(13996-08-2)
• EPA Substance Registry System: 5-Pyrimidinecarbonitrile, 1,4-dihydro-2,6-diphenyl-4-thioxo-(13996-08-2)

Safety Data

• Hazardous Substances Data: 13996-08-2(Hazardous Substances Data)

Upstream product

• 64502-69-8 3,5-diphenyl-1,2,4-dithiazol-1-ium perchlorate 
• 60776-91-2 2-(ethoxy(phenyl)methylene)malononitrile 
• 2227-79-4 benzenecarbothioamide 
• 42754-56-3 2-(methoxyphenylmethylene)malononitrile 
• 16187-90-9 β-imino-β-phenylpropionitrile 
• 69143-56-2 5-methylsulphonyl-4-phenyl-1,3-thiazine-2,6(3H)-dithione 
• 69143-65-3 4-phenyl-5-phenylsulphonyl-1,3-thiazine-2,6(3H)-dithione 
• 96530-65-3 2-Cyano-3-phenyl-3-thiobenzamidopropenenitrile 
• 104-94-9 4-methoxy-aniline 
• 109-77-3 malononitrile 
• 737-53-1 4-chloro-2,6-diphenylpyrimidine-5-carbonyltrile 

Downstream Products

• 72431-56-2 5-amino-6-acetyl-2,4-diphenylthieno[2,3-d]pyrimidine 
• 866111-69-5 5-amino-2,4-diphenylthieno[2,3-d]pyrimidine-6-carboxamide 
• 866111-82-2 2,4-diphenyl-6-methylcarbonyl-5-(1-pyrrolyl)-thieno[2,3-d]pyrimidine 
• 301846-23-1 ethyl 5-amino-2,4-diphenylthieno[2,3-d]pyrimidine-6-carboxylate 
• 866111-72-0 ethyl 2,4-diphenyl-5-(1-pyrrolyl)thieno[2,3-d]pyrimidine-6-carboxylate 
• 866111-87-7 2,4-diphenyl-5,6-dihydro-6-thioxothieno[2,3-d][4,5-d]dipyrimidin-8(7H)one 
• 866111-73-1 2,4-diphenyl-5-(1-pyrrolyl)thieno[2,3-d]pyrimidine-6-carbohydrazide 
• 866111-93-5 2,4-diphenyl-6-hydrazinothieno[2,3-d][4,5-d]dipyrimidin-8(7H)-one 
• 866111-83-3 1-(2,4-diphenyl-5-(1-pyrrolyl)thieno[2,3-d]pyrimidine-6-yl)-3-phenyl-2-propen-1-one 

Relevant articles and documents

Inhibitors of 15-Prostaglandin Dehydrogenase To Potentiate Tissue Repair

The enzyme 15-prostaglandin dehydrogenase (15-PGDH) catalyzes the first step in the degradation of prostaglandins including PGE2. It is a negative regulator of tissue repair and regeneration in multiple organs. Accordingly, inhibitors of 15-PGDH are anticipated to elevate in vivo levels of PGE2 and to promote healing and tissue regeneration. The small molecule SW033291 (1) inhibits 15-PGDH with Ki = 0.1 nM in vitro, doubles PGE2 levels in vivo, and shows efficacy in mouse models of recovery from bone marrow transplantation, ulcerative colitis, and partial hepatectomy. Here we describe optimized variants of 1 with improved solubility, druglike properties, and in vivo activity.

Synthesis of Pyrimidine Derivatives Having Oxo, Thioxo or Amino Functions at Position 4 from 1,2,4-Dithiazolium Salts

The (thioaroylamido)acrylonitriles 2, obtained by reaction of 1,2,4-dithiazolium salts 1 with ethyl cyanacetate, undergo ring tranformation reactions by reaction with ammonium acetate, primary and secondary amines and form the pyrimidines 7-9.A possible mechanism for these reactions is discussed.

The Reaction of 3,5-Diphenyl-1,2,4-dithiazol-1-ium Perchlorate with Active Methylene Compounds

The reaction of 3,5-diphenyl-1,2,4-dithiazol-1-ium perchlorate with several kinds of active methylenes gives a number of heterocycles, such as 4-hydroxy and 4-mercaptopyrimidine, pyrimidinone, and thiazole derivatives.On treatment with hydroxylamine-O-sulfonic acid, the 4-mercaptopyrimidines lead to the aminothio compounds or the isothiazolopyrimidine.