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GDC0084

CAT: 0127-BUP13043-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13043-02Size:10 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
GDC-0084, RG7666, GDC 0084, Paxalisib
Purity
=95%
Smiles
CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1

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
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View on PubChemRaw 3D data
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

Alternative Products

CatalogName
GTR19170955-01GDC0084
MBS131429GDC-0084 (GDC0084; GDC 0084; RG7666; RG-7666; RG 7666)

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