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Paxalisib (GDC-0084)

CAT: 1568-C13229-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13229-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1382979-44-3
Synonyms
RG7666
SKU
C13229-5mg
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
CC1 (C2=NC3=C (N2CCO1) N=C (N=C3N4CCOCC4) C5=CN=C (N=C5) N) C
Molecular Formula
C18H22N8O2
Additionnal Information
Paxalisib (GDC-0084, RG7666) is a brain penetrant inhibitor of PI3K and mTOR with Kiapp values of 2 nM, 46 nM, 3 nM, 10 nM and 70 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ and mTOR.
Storage Conditions
2 years -80 in solvent

Chemical Information

Paxalisib

GDC-0084 is under investigation in clinical trial NCT03696355 (Study of GDC-0084 in Pediatric Patients With Newly Diagnosed Diffuse Intrinsic Pontine Glioma or Diffuse Midline Gliomas).

CAS Number1382979-44-3
PubChem CID57384863
IUPAC Name5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
Molecular FormulaC18H22N8O2
Molecular Weight382.4
XLogP-0.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity552
SMILES
CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C
InChI
InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)
InChIKey
LGWACEZVCMBSKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Paxalisib
CAS: 1382979-44-3
CID: 57384863
Formula: C18H22N8O2
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass382.18657197
Monoisotopic Mass382.18657197
Topological Polar Surface Area117 Ų
Heavy Atom Count28
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes