Products for Research Use Only

IDH-305

CAT: 0013-GTR19174438-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174438-05Size:25 mg
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Description
IDH-305 is a brain-penetrant, orally bioavailable small molecule inhibitor with high selectivity for mutant IDH1 (R132H/C) over the wild-type enzyme. It is a research tool for investigating mutant IDH1-driven pathologies, such as glioma and cholangiocarcinoma, in both cellular and animal models.
CAS Number
1628805-46-8
Product Name Alternative
Inhibit, Isocitrate Dehydrogenase (IDH), IDH1WT, IDH1R132C, IDH 305, IDH1-R132C, IDH1R132H, IDH1-R132H, IDH1-WT, IDH305, IDH-305, Inhibitor
Field of Research
Metabolism Research
Purity
99.13% (May vary between batches)
Solubility
DMSO:100 mg/mL (203.89 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (8.16 mM)
Smiles
C[C@H] (F) [C@H]1COC (=O) N1c1ccnc (N[C@@H] (C) c2cc (C) c (cn2) -c2ccnc (c2) C (F) (F) F) n1
Molecular Formula
C23H22F4N6O2
Molecular Weight
490.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CAS Number1628805-46-8
PubChem CID90415637
IUPAC Name(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
Molecular FormulaC23H22F4N6O2
Molecular Weight490.5
XLogP3.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity731
SMILES
CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)[C@H](C)F
InChI
InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1
InChIKey
DCGDPJCUIKLTDU-SUNYJGFJSA-N
Chemical Structure
2D Structure
2D structure of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CAS: 1628805-46-8
CID: 90415637
Formula: C23H22F4N6O2
MW: 490.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass490.17403661
Monoisotopic Mass490.17403661
Topological Polar Surface Area93.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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