244767-67-7,MFCD09833899
Catalog No.:AA002O76

244767-67-7 | 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile

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Purity
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1mg
98%
in stock  
$7.00   $5.00
- +
5mg
98%
in stock  
$13.00   $9.00
- +
10mg
98%
in stock  
$17.00   $12.00
- +
50mg
98%
in stock  
$48.00   $34.00
- +
1g
98%
in stock  
$743.00   $520.00
- +
5g
98%
in stock  
$2,172.00   $1,520.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002O76
Chemical Name:
4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
CAS Number:
244767-67-7
Molecular Formula:
C20H19N5
Molecular Weight:
329.3984
MDL Number:
MFCD09833899
SMILES:
N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
Properties
Properties
 
BP:
557.9°C at 760 mmHg  
Form:
Solid  
MP:
218-222°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
452  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.8  

Literature

Title: Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility.

Journal: Bioorganic & medicinal chemistry letters 20130915

Title: Synthesis, evaluation and structure-activity relationships of triazine dimers as novel antiviral agents.

Journal: Bioorganic & medicinal chemistry letters 20121201

Title: Interactions of microbicide nanoparticles with a simulated vaginal fluid.

Journal: Molecular pharmaceutics 20121105

Title: Current status of topical antiretroviral chemoprophylaxis.

Journal: Current opinion in HIV and AIDS 20121101

Title: Polymeric nanoparticles affect the intracellular delivery, antiretroviral activity and cytotoxicity of the microbicide drug candidate dapivirine.

Journal: Pharmaceutical research 20120601

Title: Testing of viscous anti-HIV microbicides using Lactobacillus.

Journal: Journal of microbiological methods 20120201

Title: Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs).

Journal: Bioorganic & medicinal chemistry 20111015

Title: Synergy against drug-resistant HIV-1 with the microbicide antiretrovirals, dapivirine and tenofovir, in combination.

Journal: AIDS (London, England) 20110824

Title: Diarylpyrimidine-dihydrobenzyloxopyrimidine hybrids: new, wide-spectrum anti-HIV-1 agents active at (sub)-nanomolar level.

Journal: Journal of medicinal chemistry 20110428

Title: Complete inactivation of HIV-1 using photo-labeled non-nucleoside reverse transcriptase inhibitors.

Journal: Virus research 20110101

Title: Update on microbicide research and development - seeking new HIV prevention tools for women.

Journal: European journal of medical research 20110101

Title: Inhibition of HIV-1 by non-nucleoside reverse transcriptase inhibitors via an induced fit mechanism-Importance of slow dissociation and relaxation rates for antiviral efficacy.

Journal: Biochemical pharmacology 20101015

Title: Pharmacokinetics of 2 dapivirine vaginal microbicide gels and their safety vs. Hydroxyethyl cellulose-based universal placebo gel.

Journal: Journal of acquired immune deficiency syndromes (1999) 20101001

Title: Development and validation of a rapid reversed-phase HPLC method for the determination of the non-nucleoside reverse transcriptase inhibitor dapivirine from polymeric nanoparticles.

Journal: Journal of pharmaceutical and biomedical analysis 20100605

Title: Segmented polyurethane intravaginal rings for the sustained combined delivery of antiretroviral agents dapivirine and tenofovir.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20100219

Title: Selective killing of human immunodeficiency virus infected cells by non-nucleoside reverse transcriptase inhibitor-induced activation of HIV protease.

Journal: Retrovirology 20100101

Title: Discovery of diarylpyridine derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20090915

Title: Inhibition of human immunodeficiency virus type 1 infection by the candidate microbicide dapivirine, a nonnucleoside reverse transcriptase inhibitor.

Journal: Antimicrobial agents and chemotherapy 20090201

Title: Intravaginal ring delivery of the reverse transcriptase inhibitor TMC 120 as an HIV microbicide.

Journal: International journal of pharmaceutics 20061115

Title: Potent nonnucleoside reverse transcriptase inhibitors target HIV-1 Gag-Pol.

Journal: PLoS pathogens 20061101

Title: From 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk](1,4)benzodiazepin-2(1H)-one (TIBO) to etravirine (TMC125): fifteen years of research on non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Journal: Journal of medicinal chemistry 20050324

Title: In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine).

Journal: Journal of medicinal chemistry 20050324

Title: TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1.

Journal: Antimicrobial agents and chemotherapy 20041201

Title: A series of diaryltriazines and diarylpyrimidines are highly potent nonnucleoside reverse transcriptase inhibitors with possible applications as microbicides.

Journal: Antimicrobial agents and chemotherapy 20041001

Title: Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants.

Journal: Journal of medicinal chemistry 20040506

Title: In vitro evaluation of nonnucleoside reverse transcriptase inhibitors UC-781 and TMC120-R147681 as human immunodeficiency virus microbicides.

Journal: Antimicrobial agents and chemotherapy 20040101

Title: Recent advances in the development of next generation non-nucleoside reverse transcriptase inhibitors.

Journal: Current topics in medicinal chemistry 20040101

Title: Correlations between factors determining the pharmacokinetics and antiviral activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the diaryltriazine and diarylpyrimidine classes of compounds.

Journal: Drugs in R&D 20040101

Title: Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues.

Journal: Bioorganic & medicinal chemistry letters 20010903

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SDS
Related Products of 244767-67-7
Tags:244767-67-7 Molecular Formula|244767-67-7 MDL|244767-67-7 SMILES|244767-67-7 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Catalog No.: AA002O76
244767-67-7,MFCD09833899
244767-67-7 | 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Pack Size: 1mg
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 5mg
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 10mg
Purity: 98%
in stock
$17.00 $12.00
Pack Size: 50mg
Purity: 98%
in stock
$48.00 $34.00
Pack Size: 1g
Purity: 98%
in stock
$743.00 $520.00
Pack Size: 5g
Purity: 98%
in stock
$2,172.00 $1,520.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002O76
Chemical Name: 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
CAS Number: 244767-67-7
Molecular Formula: C20H19N5
Molecular Weight: 329.3984
MDL Number: MFCD09833899
SMILES: N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
Properties
BP: 557.9°C at 760 mmHg  
Form: Solid  
MP: 218-222°C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 452  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.8  
Literature fold

Title: Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility.

Journal: Bioorganic & medicinal chemistry letters20130915

Title: Synthesis, evaluation and structure-activity relationships of triazine dimers as novel antiviral agents.

Journal: Bioorganic & medicinal chemistry letters20121201

Title: Interactions of microbicide nanoparticles with a simulated vaginal fluid.

Journal: Molecular pharmaceutics20121105

Title: Current status of topical antiretroviral chemoprophylaxis.

Journal: Current opinion in HIV and AIDS20121101

Title: Polymeric nanoparticles affect the intracellular delivery, antiretroviral activity and cytotoxicity of the microbicide drug candidate dapivirine.

Journal: Pharmaceutical research20120601

Title: Testing of viscous anti-HIV microbicides using Lactobacillus.

Journal: Journal of microbiological methods20120201

Title: Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs).

Journal: Bioorganic & medicinal chemistry20111015

Title: Synergy against drug-resistant HIV-1 with the microbicide antiretrovirals, dapivirine and tenofovir, in combination.

Journal: AIDS (London, England)20110824

Title: Diarylpyrimidine-dihydrobenzyloxopyrimidine hybrids: new, wide-spectrum anti-HIV-1 agents active at (sub)-nanomolar level.

Journal: Journal of medicinal chemistry20110428

Title: Complete inactivation of HIV-1 using photo-labeled non-nucleoside reverse transcriptase inhibitors.

Journal: Virus research20110101

Title: Update on microbicide research and development - seeking new HIV prevention tools for women.

Journal: European journal of medical research20110101

Title: Inhibition of HIV-1 by non-nucleoside reverse transcriptase inhibitors via an induced fit mechanism-Importance of slow dissociation and relaxation rates for antiviral efficacy.

Journal: Biochemical pharmacology20101015

Title: Pharmacokinetics of 2 dapivirine vaginal microbicide gels and their safety vs. Hydroxyethyl cellulose-based universal placebo gel.

Journal: Journal of acquired immune deficiency syndromes (1999)20101001

Title: Development and validation of a rapid reversed-phase HPLC method for the determination of the non-nucleoside reverse transcriptase inhibitor dapivirine from polymeric nanoparticles.

Journal: Journal of pharmaceutical and biomedical analysis20100605

Title: Segmented polyurethane intravaginal rings for the sustained combined delivery of antiretroviral agents dapivirine and tenofovir.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences20100219

Title: Selective killing of human immunodeficiency virus infected cells by non-nucleoside reverse transcriptase inhibitor-induced activation of HIV protease.

Journal: Retrovirology20100101

Title: Discovery of diarylpyridine derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry letters20090915

Title: Inhibition of human immunodeficiency virus type 1 infection by the candidate microbicide dapivirine, a nonnucleoside reverse transcriptase inhibitor.

Journal: Antimicrobial agents and chemotherapy20090201

Title: Intravaginal ring delivery of the reverse transcriptase inhibitor TMC 120 as an HIV microbicide.

Journal: International journal of pharmaceutics20061115

Title: Potent nonnucleoside reverse transcriptase inhibitors target HIV-1 Gag-Pol.

Journal: PLoS pathogens20061101

Title: From 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk](1,4)benzodiazepin-2(1H)-one (TIBO) to etravirine (TMC125): fifteen years of research on non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Journal: Journal of medicinal chemistry20050324

Title: In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine).

Journal: Journal of medicinal chemistry20050324

Title: TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1.

Journal: Antimicrobial agents and chemotherapy20041201

Title: A series of diaryltriazines and diarylpyrimidines are highly potent nonnucleoside reverse transcriptase inhibitors with possible applications as microbicides.

Journal: Antimicrobial agents and chemotherapy20041001

Title: Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants.

Journal: Journal of medicinal chemistry20040506

Title: In vitro evaluation of nonnucleoside reverse transcriptase inhibitors UC-781 and TMC120-R147681 as human immunodeficiency virus microbicides.

Journal: Antimicrobial agents and chemotherapy20040101

Title: Recent advances in the development of next generation non-nucleoside reverse transcriptase inhibitors.

Journal: Current topics in medicinal chemistry20040101

Title: Correlations between factors determining the pharmacokinetics and antiviral activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the diaryltriazine and diarylpyrimidine classes of compounds.

Journal: Drugs in R&D20040101

Title: Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues.

Journal: Bioorganic & medicinal chemistry letters20010903

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