724424-43-5

Basic information

• Product Name: (R)-2-CHLORO-5-(4-(HYDROXY(METHOXY)METHYL)-3,5-DIOXO-4,5-DIHYDRO-1,2,4-TRIAZIN-2(3H)-YL)-N-((1-HYDROXYCYCLOHEPTYL)METHYL)BENZAMIDE
• Synonyms: (R)-2-CHLORO-5-(4-(HYDROXY(METHOXY)METHYL)-3,5-DIOXO-4,5-DIHYDRO-1,2,4-TRIAZIN-2(3H)-YL)-N-((1-HYDROXYCYCLOHEPTYL)METHYL)BENZAMIDE;A P2X7 receptor antagonist;CE 224535;PF-04905428
• CAS NO: 724424-43-5
• Molecular Formula: C20H25ClN4O6
• Molecular Weight: 480.94
• Mol File: 724424-43-5.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Density: 1.47g/cm³
• Refractive Index: 1.649
• PKA: 13.48±0.20(Predicted)
• CAS DataBase Reference: (R)-2-CHLORO-5-(4-(HYDROXY(METHOXY)METHYL)-3,5-DIOXO-4,5-DIHYDRO-1,2,4-TRIAZIN-2(3H)-YL)-N-((1-HYDROXYCYCLOHEPTYL)METHYL)BENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2-CHLORO-5-(4-(HYDROXY(METHOXY)METHYL)-3,5-DIOXO-4,5-DIHYDRO-1,2,4-TRIAZIN-2(3H)-YL)-N-((1-HYDROXYCYCLOHEPTYL)METHYL)BENZAMIDE(724424-43-5)
• EPA Substance Registry System: (R)-2-CHLORO-5-(4-(HYDROXY(METHOXY)METHYL)-3,5-DIOXO-4,5-DIHYDRO-1,2,4-TRIAZIN-2(3H)-YL)-N-((1-HYDROXYCYCLOHEPTYL)METHYL)BENZAMIDE(724424-43-5)

Safety Data

• Hazardous Substances Data: 724424-43-5(Hazardous Substances Data)

Usage

Uses

CE-224535, is a selective P2X7 receptor antagonist.

InChI:InChI=1/C20H25ClN4O6/c1-31-19(29)24-16(26)11-23-25(18(24)28)13-6-7-15(21)14(10-13)17(27)22-12-20(30)8-4-2-3-5-9-20/h6-7,10-11,19,29-30H,2-5,8-9,12H2,1H3,(H,22,27)/t19-/m1/s1

Upstream product

• 64491-70-9 R(-)-glycidyl methyl ether 
• 45732-95-4 1-(aminomethyl)cycloheptanol 
• 53837-90-4 (R^*,R^*)-α-Methyloxiranemethanol 
• 524712-40-1 C₁₁H₆ClN₃O₆ 
• 524712-41-2 2-chloro-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-benzoic acid 
• 531507-38-7 2-chloro-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-benzoyl chloride 
• 89-54-3 2-chloro-5-aminobenzoic acid 

Relevant articles and documents

Optimization of the physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7 receptor antagonists leading to the discovery of the clinical candidate CE-224,535

High throughput screening (HTS) of our compound file provided an attractive lead compound with modest P2X7 receptor antagonist potency and high selectivity against a panel of receptors and channels, but also with high human plasma protein bindi

Methods for preparing P2X7 inhibitors

The present invention relates to the methods for preparing compounds of the formula I: or the pharmaceutically acceptable salts thereof, wherein R1, R2, R4, R10, and R11 have any of the values defined

3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES

The present invention provides benzamide inhibitors of the P2X7 receptor of the formula (I), wherein R1 and R2 are as defined in claim 1. R3 is a nitrogen linked (C1-C10) heterocyclyl of fo