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GDC-0326

CAT: 0957-S8157-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8157-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1282514-88-8
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
CC (C) N1C (=NC=N1) C2=CN3CCOC4=C (C3=N2) C=CC (=C4) OC (C) C (=O) N
Molecular Formula
C19H22N6O3
Additionnal Information
GDC-0326 is a potent and selective inhibitor of PI3Kα with Ki value of 0.2 nM; remarkably selective over the other class I isoforms in enzymatic assays.
Storage Conditions
2 years -80 in solvent

Chemical Information

Gdc-0326

GDC-0326 is an organic heterotricyclic compound that is 5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine substituted by 1-(propan-2-yl)-1H-1,2,4-triazol-5-yl and [(2S)-1-amino-1-oxopropan-2-yl]oxy groups at positions 2 and 9, respectively. It is a potent and selective inhibitor of PI3Kalpha (Ki = 0.2 nM). It has a role as an antineoplastic agent and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a primary carboxamide, an ether, an organic heterotricyclic compound, a member of triazoles and a tertiary amino compound.

CAS Number1282514-88-8
PubChem CID58204997
IUPAC Name(2S)-2-[[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]propanamide
Molecular FormulaC19H22N6O3
Molecular Weight382.4
XLogP1.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity564
SMILES
C[C@@H](C(=O)N)OC1=CC2=C(C=C1)C3=NC(=CN3CCO2)C4=NC=NN4C(C)C
InChI
InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
InChIKey
SIKYDKLGPWRPMZ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0326
CAS: 1282514-88-8
CID: 58204997
Formula: C19H22N6O3
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.17533859
Monoisotopic Mass382.17533859
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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