CAS 900185-01-5|2-({4-aminopyrazolo[3,4-d]pyrimidin-1-yl}methyl)-5-methyl-3-(2-methylphenyl)quinazolin-4-one|2-({4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-5-methyl-3-(2-methylphenyl)-3,4-dihy...

General Information

Structure

Molecular Formula

C₂₂H₁₉N₇O

Molecular Mass

397.43256

Exact Mass

397.16510826

Charge

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

Canonic Smiles

Nc1ncnc2c1cnn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C

Isomeric Smiles

c1(n(c(=O)c2c(n1)cccc2C)c1c(cccc1)C)Cn1ncc2c1ncnc2N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9193957

LogD (pH = 7.4)

2.9472365

Log P

3.012714

Molar Refractivity

128.5074

Polarizability

42.71852

Polar Surface Area

102.29

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-({4-aminopyrazolo[3,4-d]pyrimidin-1-yl}methyl)-5-methyl-3-(2-methylphenyl)quinazolin-4-one

IUPAC name

2-({4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

Synonyms

PIK-293

Names and Identifiers

Registration numbers

PubChem CID

53245636

PubChem SID

162037818

CAS Number

900185-01-5

Registration numbers

Properties

Pharmacology Properties

Target

PI3K

Product Information

Salt Data

Free Base

Safety Information

Storage Condition

-20°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S2207

Research Area

Description

Cancer

Biological Activity

Description

PIK-293 is a PI3-K inhibitor for p110α, p110β, p110δ and p110γ with IC50 of 100 μM, 25 μM, 0.24 μM and 10 μM, respectively.

Targets

p110α

IC₅₀

100 μM

In Vitro

PIK-293 is a pyrazolopyrimidine analog of IC87114. PIK-293 is synthesized by replacing the adenine of IC87114 with the isosteric pyrazolopyrimidine. ^[1]

In Vivo

Clinical Trials

Features