Cvt-6883

Base Information

• Chemical Name: Cvt-6883
• CAS No.: 752222-83-6
• Deprecated CAS: 1215343-16-0
• Molecular Formula: C21H21F3N6O2
• Molecular Weight: 446.432
• UNII: 67CKV7X08G
• ChEMBL ID: CHEMBL260933
• Metabolomics Workbench ID: 149592
• Nikkaji Number: J2.708.904F
• Pharos Ligand ID: RPGT2YR33ZZK
• Wikidata: Q27076932
• Mol file: 752222-83-6.mol

Synonyms:3-ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione;CVT-6883;GS-6201

Chemical Property of Cvt-6883

Chemical Property:

• Refractive Index: 1.64
• Boiling Point: 538.4 °C at 760 mmHg
• PKA: 7.69±0.70(Predicted)
• Flash Point: 279.4 °C
• PSA: 90.50000
• Density: 1.44 g/cm³
• LogP: 3.24680
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 446.16780842
• Heavy Atom Count: 32
• Complexity: 708

Purity/Quality:

97% ^*data from raw suppliers

GS 6201 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)N(C1=O)CC
• Uses: 3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione, is a novel selective, high-affinity A2B adenosine receptor (AR) antagonist, used for the treatment of inflammatory and angiogenic diseases.

Technology Process of Cvt-6883

There total 3 articles about Cvt-6883 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(6-amino-1-ethyl-2,4-dioxo-3-propyl(1,3-dihydropyrimidin-5-yl))(1-{[3-(trifluoromethyl)phenyl]methyl}-pyrazol-4-yl)carboxamide (752222-82-5) → 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione (752222-83-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at 80 - 100 ℃; for 2 - 18h; Product distribution / selectivity;

Reference yield:

N-(6-amino-1-ethyl-2,4-dioxo-3-propyl(1,3-dihydropyrimidin-5-yl))(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-3-yl)carboxamide → 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione (752222-83-6)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield:

→ 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione (752222-83-6)

Guidance literature:

upstream raw materials:

N-(6-amino-1-ethyl-2,4-dioxo-3-propyl(1,3-dihydropyrimidin-5-yl))(1-{[3-(trifluoromethyl)phenyl]methyl}-pyrazol-4-yl)carboxamide

Downstream raw materials:

[3-ethyl-2,6-dioxo-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}-pyrazol-4-yl)-1,3,7-trihydropurin-7-yl]methyl 4-methylpiperazinecarboxylate

[3-ethyl-2,6-dioxo-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurin-7-yl]methyl pyridine-3-carboxylate

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