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IDH889

CAT: 1410-M26714-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M26714-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IDH889 is a brain penetrant, an allosteric and mutant specific IDH1 inhibitor. IDH889 has effective selectivity for IDH1 R132* mutations (IC50s: 0.02 μM, 0.072 μM, and 1.38 μM for IDH1R132H, IDH1R132C, and IDH1wt) .
CAS Number
1429179-07-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
436.491
Molecular Formula
C23H25FN6O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(S)-3-(2-(((S)-1-(5-(4-Fluoro-3-methylphenyl)pyrimidin-2-YL)ethyl)amino)pyrimidin-4-YL)-4-isopropyloxazolidin-2-one
CAS Number1429179-07-6
PubChem CID71542286
IUPAC Name(4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
Molecular FormulaC23H25FN6O2
Molecular Weight436.5
XLogP4.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity632
SMILES
CC1=C(C=CC(=C1)C2=CN=C(N=C2)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C)F
InChI
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
InChIKey
JDCYIMQAIKEACU-HNAYVOBHSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(2-(((S)-1-(5-(4-Fluoro-3-methylphenyl)pyrimidin-2-YL)ethyl)amino)pyrimidin-4-YL)-4-isopropyloxazolidin-2-one
CAS: 1429179-07-6
CID: 71542286
Formula: C23H25FN6O2
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass436.20230222
Monoisotopic Mass436.20230222
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7853-5IDH889
A19578-50IDH889 50mg
A19578-1IDH889 1mg
A19578-10IDH889 10mg
HY-112289B-01(1R) -IDH889
A19578-25IDH889 25mg
A19578-5IDH889 5mg
A19578-100IDH889 100mg
A19578-10mM-DIDH889 10mM * 1mL in DMSO

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