Delavirdine mesylate

Base Information

• Chemical Name: Delavirdine mesylate
• CAS No.: 147221-93-0
• Deprecated CAS: 148692-47-1
• Molecular Formula: C22H28N6O3S^.CH4SO3
• Molecular Weight: 552.67
• European Community (EC) Number: 692-682-7
• UNII: 421105KRQE
• DSSTox Substance ID: DTXSID701017136
• Wikidata: Q27068164
• NCI Thesaurus Code: C28974
• ChEMBL ID: CHEMBL929
• Mol file: 147221-93-0.mol

Synonyms:Delavirdine;Delavirdine Mesylate;Mesylate, Delavirdine;Rescriptor;U 90152;U 90152S;U-90152;U-90152S;U90152;U90152S

Chemical Property of Delavirdine mesylate

Chemical Property:

• Appearance/Colour: Light Brown Solid
• Vapor Pressure: 2.74E-21mmHg at 25°C
• Melting Point: 118-120 °C
• Boiling Point: 732 °C at 760 mmHg
• Flash Point: 396.5 °C
• PSA: 181.56000
• LogP: 4.53160
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO: >5mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 552.18247511
• Heavy Atom Count: 37
• Complexity: 842

Purity/Quality:

98%Min ^*data from raw suppliers

Delavirdine mesylate ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
• Recent ClinicalTrials: A Phase II Double-Blind Study of Delavirdine Mesylate ( U-90152 ) in Combination With Zidovudine ( AZT ) and/or Didanosine ( ddI ) Versus AZT and ddI Combination Therapy
• Description: Rescriptor was launched in the US for HIV positive individuals. It can be prepared in seven steps from 2-chloro-3-nitropyridine and piperazine. Rescriptor is a member of the bis(heteroaryl)piperazine (BHAP) class of non-nucleoside HIV-1 reverse transcriptase inhibitors (NNRTIs) of which it is a second generation drug. It acts exclusively as an allosteric mixed inhibitor of both RNA- and DNA-directed polymerase domains of RT and has a much higher binding affintiy for the enzymesubstrate complex than for the free enzyme. Rescriptor does not inhibit RNase H activity of RT. It prevented the spread of HIV significantly longer than AZT. Development of resistance to Rescriptor can occur, however the mutated strain becomes more vulnerable to other members of the NNRTIs. It is metabolized in the liver by CYP3A.
• Therapeutic Function: Antiviral, Anti-HIV virus agent