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1355326-35-0,MFCD24848688
Catalog No.:AA003NM9

1355326-35-0 | Agi-5198

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%(HPLC)
in stock  
$43.00   $30.00
- +
25mg
98%(HPLC)
in stock  
$94.00   $66.00
- +
100mg
98%(HPLC)
in stock  
$262.00   $184.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003NM9
Chemical Name:
Agi-5198
CAS Number:
1355326-35-0
Molecular Formula:
C27H31FN4O2
Molecular Weight:
462.5590
MDL Number:
MFCD24848688
SMILES:
Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C
Properties
Properties
 
Form:
Solid  
Solubility:
DMSO: soluble3mg/mL, clear  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
686  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.9  

Upstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2012,vol.3,#10,p.850-855

[2]BioorganicandMedicinalChemistryLetters,2018,vol.28,#4,p.694-699

[1]ACSMedicinalChemistryLetters,2012,vol.3,#10,p.850-855

[1]ACSMedicinalChemistryLetters,2012,vol.3,#10,p.850-855

[1]ACSMedicinalChemistryLetters,2012,vol.3,#10,p.850-855

Downstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.850-855

[2]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.694-699

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.850-855

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.850-855

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.850-855

Literature

Title: Inhibition of mutant IDH1 decreases D-2-HG levels without affecting tumorigenic properties of chondrosarcoma cell lines.

Journal: Oncotarget 20150520

Title: Selective inhibition of mutant isocitrate dehydrogenase 1 (IDH1) via disruption of a metal binding network by an allosteric small molecule.

Journal: The Journal of biological chemistry 20150109

Title: An inhibitor of mutant IDH1 delays growth and promotes differentiation of glioma cells.

Journal: Science (New York, N.Y.) 20130503

Title: Rohle D, et al. An inhibitor of mutant IDH1 delays growth and promotes differentiation of glioma cells. Science. 2013 May 3;340(6132):626-30.

Title: Molenaar RJ, et al. Radioprotection of IDH1-Mutated Cancer Cells by the IDH1-Mutant Inhibitor AGI-5198. Cancer Res. 2015 Nov 15;75(22):4790-802.

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SDS
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