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IDH-305

CAT: 0957-S3574-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S3574-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IDH-305 (Compound 13) is an orally available, mutant-selective and brain-penetrant inhibitor of isocitrate dehydrogenase 1 (IDH1) that targets IDH1 (R132) mutation with IC50 of 27 nM, 28 nM and 6.14 μM for IDH1R132H, IDH1R132C and IDH1WT, respectively.
CAS Number
1628805-46-8
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C23H22F4N6O2
Storage Conditions
3 years -20°C powder

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...
View on PubChemRaw 3D data
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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Alternative Products

CatalogName
DQC80546-01IDH 305
BUP04418-01IDH-305
A16943-10IDH-305 10mg
A16943-5IDH-305 5mg
A16943-1IDH-305 1mg
A16943-2IDH-305 2mg
A16943-25IDH-305 25mg
A16943-100IDH-305 100mg
A16943-50IDH-305 50mg
A16943-10mM-DIDH-305 10mM * 1mL in DMSO

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