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Mutant IDH1-IN-2

CAT: 1410-M26311-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M26311-01Size: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
Mutant IDH1-IN-2 is a inhibitor of mutant Isocitrate dehydrogenase (IDH) proteins, with IC50 of 16.6 nM in Fluorescence biochemical assay, IC50 of ＜22 nM in LS-MS biochemical assay.
CAS Number
1429176-69-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.542
Molecular Formula
C24H31F2N5O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Mutant IDH1-IN-2
CAS Number1429176-69-1
PubChem CID71515481
IUPAC Name(4S)-3-[2-[[(1S)-1-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
Molecular FormulaC24H31F2N5O2
Molecular Weight459.5
XLogP4.7
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
C[C@@H](C1=CC=C(C=C1)CN2CCC(CC2)(F)F)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C
InChI
InChI=1S/C24H31F2N5O2/c1-16(2)20-15-33-23(32)31(20)21-8-11-27-22(29-21)28-17(3)19-6-4-18(5-7-19)14-30-12-9-24(25,26)10-13-30/h4-8,11,16-17,20H,9-10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1
InChIKey
OCZCXJFDMAWAIM-FXAWDEMLSA-N
Chemical Structure
2D Structure
2D structure of Mutant IDH1-IN-2
CAS: 1429176-69-1
CID: 71515481
Formula: C24H31F2N5O2
MW: 459.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass459.24458157
Monoisotopic Mass459.24458157
Topological Polar Surface Area70.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
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

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Alternative Products

CatalogName
T12128-01Mutant IDH1-IN-2
A21339-5Mutant IDH1-IN-2 5mg
A21339-200Mutant IDH1-IN-2 200mg
A21339-50Mutant IDH1-IN-2 50mg
A21339-1Mutant IDH1-IN-2 1mg
A21339-100Mutant IDH1-IN-2 100mg
A21339-25Mutant IDH1-IN-2 25mg
A21339-10Mutant IDH1-IN-2 10mg
T204372-01Mutant IDH1-IN-3
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