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Home Amines 1628805-46-8
1628805-46-8,MFCD31630851
Catalog No.:AA00IKJP

1628805-46-8 | (4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$87.00   $61.00
- +
5mg
98%
in stock  
$216.00   $151.00
- +
10mg
98%
in stock  
$335.00   $234.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IKJP
Chemical Name:
(4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
CAS Number:
1628805-46-8
Molecular Formula:
C23H22F4N6O2
Molecular Weight:
490.4534
MDL Number:
MFCD31630851
SMILES:
C[C@@H]([C@H]1COC(=O)N1c1ccnc(n1)N[C@H](c1ncc(c(c1)C)c1ccnc(c1)C(F)(F)F)C)F
Properties
Computed Properties
 
Complexity:
731  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Cho,YoungShin;Levell,JulianR.;Liu,Gang;Caferro,Thomas;Sutton,James;Shafer,CynthiaM.;Costales,Abran;Manning,JamesR.;Zhao,Qian;Sendzik,Martin;Shultz,Michael;Chenail,Gregg;Dooley,Julia;Villalba,Brian;Farsidjani,Ali;Chen,Jinyun;Kulathila,Raviraj;Xie,Xiaoling;Dodd,Stephanie;Gould,Ty;Liang,Guiqing;Heimbach,Tycho;Slocum,Kelly;Firestone,Brant;Pu,Minying;Pagliarini,Raymond;Growney,JosephD.[ACSMedicinalChemistryLetters,2017,vol.8,#10,p.1116-1121]

[2]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/141104,2014,A1Locationinpatent:Page/Pagecolumn387;390

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/141104,2014,A1

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/141104,2014,A1

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/141104,2014,A1

[2]Cho,YoungShin;Levell,JulianR.;Liu,Gang;Caferro,Thomas;Sutton,James;Shafer,CynthiaM.;Costales,Abran;Manning,JamesR.;Zhao,Qian;Sendzik,Martin;Shultz,Michael;Chenail,Gregg;Dooley,Julia;Villalba,Brian;Farsidjani,Ali;Chen,Jinyun;Kulathila,Raviraj;Xie,Xiaoling;Dodd,Stephanie;Gould,Ty;Liang,Guiqing;Heimbach,Tycho;Slocum,Kelly;Firestone,Brant;Pu,Minying;Pagliarini,Raymond;Growney,JosephD.[ACSMedicinalChemistryLetters,2017,vol.8,#10,p.1116-1121]

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/141104,2014,A1

Literature

Title: Cho YS, et al. Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor. ACS Med Chem Lett. 2017 Sep 18;8(10):1116-1121.

Title: Courtney D DiNardo, et al. A Phase I Study of IDH305 in Patients with Advanced Malignancies Including Relapsed/Refractory AML and MDS That Harbor IDH1R132 Mutations. Blood, 128(22), 1073.

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Tags:1628805-46-8 Molecular Formula|1628805-46-8 MDL|1628805-46-8 SMILES|1628805-46-8 (4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one