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IC-87114

CAT: 0607-A2065-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A2065-10Size:10 mg
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Description
PI3Kδ inhibitor
CAS Number
371242-69-2
Product Name Alternative
2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Field of Research
PI3K Akt mTOR Signaling PI3K
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥6.62 mg/mL in DMF
Smiles
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4N=CN=C5N
Molecular Formula
C22H19N7O
Molecular Weight
397.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

IC 87114

IC-87114 is a member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a member of 6-aminopurines, a member of quinazolines and a biaryl.

CAS Number371242-69-2
PubChem CID9908783
IUPAC Name2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular FormulaC22H19N7O
Molecular Weight397.4
XLogP2.8
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)CN4C=NC5=C(N=CN=C54)N
InChI
InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
InChIKey
GNWHRHGTIBRNSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IC 87114
CAS: 371242-69-2
CID: 9908783
Formula: C22H19N7O
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.8
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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Alternative Products

CatalogName
HY-10110-01IC-87114
452169-01IC 87114

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