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869901-69-9,MFCD22628847
Catalog No.:AA00GU1L

869901-69-9 | Mk-2048

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Purity
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1mg
≥98%
in stock  
$175.00   $123.00
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5mg
≥98%
in stock  
$511.00   $358.00
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10mg
≥98%
in stock  
$679.00   $475.00
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50mg
≥98%
in stock  
$1,850.00   $1,295.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GU1L
Chemical Name:
Mk-2048
CAS Number:
869901-69-9
Molecular Formula:
C21H21ClFN5O4
Molecular Weight:
461.8739
MDL Number:
MFCD22628847
SMILES:
CCN1C[C@H](C)n2c(C1=O)c(O)c1c2c(nn(c1=O)Cc1ccc(c(c1)Cl)F)C(=O)NC
Properties
Computed Properties
 
Complexity:
828  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2005/110414,2005,A2Locationinpatent:Page/Pagecolumn101

192702-01-5   
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino1’,2’:1,5pyrrolo2,3-dpyridazine-4-carboxamide 

[1]Patent:WO2005/110414,2005,A2

Literature

Title: Comparative antiviral activity of integrase inhibitors in human monocyte-derived macrophages and lymphocytes.

Journal: Antiviral research 20111101

Title: Physical trapping of HIV-1 synaptic complex by different structural classes of integrase strand transfer inhibitors.

Journal: Biochemistry 20100928

Title: Identification of novel mutations responsible for resistance to MK-2048, a second-generation HIV-1 integrase inhibitor.

Journal: Journal of virology 20100901

Title: Primary mutations selected in vitro with raltegravir confer large fold changes in susceptibility to first-generation integrase inhibitors, but minor fold changes to inhibitors with second-generation resistance profiles.

Journal: Virology 20100705

Title: L. Van Wesenbeeck, E. Rondelez, M. Feyaerts, et al. Cross-Resistance Profile Determination of Two Second-Generation HIV-1 Integrase Inhibitors Using a Panel of Recombinant Viruses Derived from Raltegravir-Treated Clinical Isolates .Antimicrob. Agents Chemother. 2011, 55 (1): 321-325

Title: Muhammad Esa Seegulam, Lee Ratner. Integrase Inhibitors Effective against Human T-Cell Leukemia Virus Type 1. Antimicrob. Agents Chemother. 2011, 55 (5): 2011-2017

Title: Tamara Bar-Magen1, Richard D. Sloan1, Daniel A. Donahue1, et al. Identification of Novel Mutations Responsible for Resistance to MK-2048, a Second-Generation HIV-1 Integrase Inhibitor. J. Virol. 2010, 84(18): 9210-9216

Title: Laith Q Al-Mawsawi, Rasha I Al-Safi, Nouri Neamati. Anti-infectives Clinical progress of HIV-1 integrase inhibitors. 2008, 13(2): Pages 213-225

Title: Al-Mawsawi LQ, Al-Safi RI, Neamati N. Anti-infectives: clinical progress of HIV-1 integrase inhibitors. Expert Opin Emerg Drugs. 2008 Jun;13(2):213-25.

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SDS
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