Home Amines 1414943-88-6
1414943-88-6,MFCD30502894
Catalog No.:AA001GEO

1414943-88-6 | 1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(S-methylsulfonimidoyl)methyl]phenyl]-

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5mg
98%
in stock  
$1,029.00   $720.00
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10mg
98%
in stock  
$1,559.00   $1,092.00
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25mg
98%
in stock  
$3,438.00   $2,407.00
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50mg
98%
in stock  
$6,141.00   $4,299.00
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100mg
98%
in stock  
$11,006.00   $7,704.00
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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:
AA001GEO
Chemical Name:
1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(S-methylsulfonimidoyl)methyl]phenyl]-
CAS Number:
1414943-88-6
Molecular Formula:
C18H18FN5O2S
Molecular Weight:
387.4312
MDL Number:
MFCD30502894
SMILES:
COc1cc(F)ccc1c1ncnc(n1)Nc1cccc(c1)CS(=O)(=N)C
Properties
Computed Properties
 
Complexity:
588  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4  

Downstream Synthesis Route

[1]Sirvent,JuanA.;Bierer,Donald;Webster,Robert;Lücking,Ulrich[Synthesis,2017,vol.49,#5,p.1024-1036]

[1]Zhang,Guocai;Tan,Hongsheng;Chen,Weichun;Shen,HongC.;Lu,Yue;Zheng,Changwu;Xu,Hongxi[ChemSusChem,2020,vol.13,#5,p.922-928]

[2]Glachet,Thomas;Franck,Xavier;Reboul,Vincent[Synthesis,2019,vol.51,#4,p.971-975]

Literature

Title: Scholz A, et al. BAY 1143572, a first-in-class, highly selective, potent and orally available inhibitor of PTEFb/CDK9 currently in Phase I, shows convincing anti-tumor activity in preclinical models of acute myeloid leukemia (AML). [abstract In: Proceedings of the 107th Annual Meeting of the American Association for Cancer Research; 2016 Apr 16-20; New Orleans, LA. Philadelphia (PA): AACR; Cancer Res 2016;76(14 Suppl):Abstract nr 3022.

Title: Scholz A, et al. BAY 1143572: A first-in-class, highly selective, potent and orally available inhibitor of PTEFb/CDK9 currently in Phase I, inhibits MYC and shows convincing anti-tumor activity in multiple xenograft models by the induction of apoptosis. [abstract In: Proceedings of the 106th Annual Meeting of the American Association for Cancer Research; 2015 Apr 18-22; Philadelphia, PA. Philadelphia (PA): AACR; Cancer Res 2015;75(15 Suppl):Abstract nr DDT02-02. doi:10.1158/1538-7445.AM2015-DDT02-02

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Tags:1414943-88-6 Molecular Formula|1414943-88-6 MDL|1414943-88-6 SMILES|1414943-88-6 1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(S-methylsulfonimidoyl)methyl]phenyl]-