509083-73-2

Basic information

• Product Name: Benzonitrile, 4-[(5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[ 4.4]non-9-yl]-
• CAS NO: 509083-73-2
• Molecular Formula: C20H16Cl2N4O2
• Molecular Weight: 415.279
• Mol File: 509083-73-2.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 4-[(5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[ 4.4]non-9-yl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-[(5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[ 4.4]non-9-yl]-(509083-73-2)
• EPA Substance Registry System: Benzonitrile, 4-[(5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[ 4.4]non-9-yl]-(509083-73-2)

Safety Data

• Hazardous Substances Data: 509083-73-2(Hazardous Substances Data)

Upstream product

• 34893-92-0 3,4-dichlorophenyl isocyanate 
• 105-07-7 4-cyanobenzaldehyde 
• 27387-90-2 3-(3,5-dichlorophenyl)-1-methyl-2,4-imidazolidinedione 
• 509083-46-9 (E)-4-((1-(3,5-dichlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl)benzonitrile 

Downstream Products

• 893397-44-9 BMS-688521 
• 1224465-36-4 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)benzo[d]oxazole-6-carboxylate 
• 1224465-04-6 4-((5S,9R)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-7-(pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonan-9-yl)benzonitrile 
• 1224465-33-1 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)thiazole-5-carboxylate 
• 1224465-05-7 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinonitrile 
• 1224465-39-7 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)benzo[d]thiazole-6-carboxylate 
• 1224465-13-7 4-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)picolinic acid 
• 1224465-38-6 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)benzo[d]thiazole-7-carboxylate 
• 1224464-95-2 C₄₅H₃₃Cl₂N₉O₂ 
• 1224465-31-9 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyrimidine-4-carboxylate 
• 1224465-01-3 tert-butyl 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)-2-methylnicotinate 
• 1224464-98-5 methyl 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)-4-methylnicotinate 
• 1224465-35-3 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)benzo[d]oxazole-7-carboxylate 
• 1224464-99-6 methyl 2-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)isonicotinate 

Relevant articles and documents

Kilogram synthesis of a LFA-1/ICAM inhibitor

The process development and the kilogram-scale synthesis of BMS-587101 (1) are described. The synthesis features a [3 + 2] azomethine ylide cycloaddition to efficiently build the spirocyclic core in a diastereoselective fashion followed by a classical res

Synthesis of lead LFA-1 antagonist [14C]spyrocyclic hydantoin

Radiolabelled drug lead candidate leukocyte function-associated antigen 1 antagonist [14C]spyrocyclic hydantoin: 5-(((5S,9R)-9-(4-[ 14C]-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3, 7-triazaspiro[4.4]nonan-7-yl)methyl)

Discovery and development of 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5- dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl-methyl] -3-thiophenecarboxylic Acid (BMS-587101) - A small molecule antagonist of leukocyte function associated antigen-1

LFA-1 (leukocyte function-associated antigen-1), is a member of the β2-integrin family and is expressed on all leukocytes. This letter describes the discovery and preliminary SAR of spirocyclic hydantoin based LFA-1 antagonists that culminated in the iden