WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406991
Description: IDH889 is a potent and selective inhibitors of IDH1. IDH899 shows IDH (R132H) IC50 = 20 nM; Cell 2-HG IC50 = 14 nM. IDH889 demonstrates significantly improved plasma exposure in mice vs IDH662 (AUC 3.6 μM·h, Cmax 1.7 μM at 10 mg/kg; AUC 55.5 μM·h, Cmax 14.2 μM at 100 mg/kg). IDH889 also has excellent permeability and no efflux in the Caco-2 and human MDR1-MDCK cell lines, supporting the hypothesis that potent inhibition of mutant IDH1 function by binding at the allosteric binding site is compatible with brain penetration.
MedKoo Cat#: 406991
Chemical Formula: C23H25FN6O2
Exact Mass: 436.2023
Molecular Weight: 436.4914
Elemental Analysis: C, 63.29; H, 5.77; F, 4.35; N, 19.25; O, 7.33
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Synonym: IDH889; IDH-889; IDH 889.
IUPAC/Chemical Name: (S)-3-(2-(((S)-1-(5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl)ethyl)amino)pyrimidin-4-yl)-4-isopropyloxazolidin-2-one
InChi Key: JDCYIMQAIKEACU-HNAYVOBHSA-N
InChi Code: InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
SMILES Code: CC1=C(F)C=CC(C2=CN=C([C@@H](NC3=NC(N4[C@@H](C(C)C)COC4=O)=CC=N3)C)N=C2)=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 436.4914 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1
Julian R. LevellThomas CaferroGregg ChenailIna DixJulia DooleyBrant FirestonePascal D. FortinJohn GiraldesTy GouldJoseph D. GrowneyMichael D. JonesRaviraj KulathilaFallon LinGang LiuArne MuellerSimon van der PlasKelly SlocumTroy SmithRemi TerranovaB. Barry TouréViraj TyagiTrixie WagnerXiaoling XieMing XuFan S. YangLiping X. ZhouRaymond PagliariniYoung Shin Cho
Publication Date (Web): December 16, 2016 (Letter)
Hotspot heterozygous mutations in human cytoplasmic isocitrate dehydrogenase 1 (IDH1) at Arg132 (R132*) have been identified in multiple cancer types, including acute myeloid leukemia (AML), glioma, chondrosarcoma, and cholangiocarcinoma.