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PIK-293

CAT: 0607-B2187-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B2187-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PI3K inhibitor
CAS Number
900185-01-5
Product Name Alternative
2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Field of Research
PI3K Akt mTOR Signaling PI3K
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=C(C=N4)C(=NC=N5)N
Molecular Formula
C22H19N7O
Molecular Weight
397.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CAS Number900185-01-5
PubChem CID53245636
IUPAC Name2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular FormulaC22H19N7O
Molecular Weight397.4
XLogP2.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity684
SMILES
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C=N4)N
InChI
InChI=1S/C22H19N7O/c1-13-6-3-4-9-17(13)29-18(27-16-8-5-7-14(2)19(16)22(29)30)11-28-21-15(10-26-28)20(23)24-12-25-21/h3-10,12H,11H2,1-2H3,(H2,23,24,25)
InChIKey
KQDBVHKNIYROHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CAS: 900185-01-5
CID: 53245636
Formula: C22H19N7O
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass397.16510826
Monoisotopic Mass397.16510826
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity684
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

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