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IC 87114

IC 87114 structure

CAS No:
371242-69-2
Formula:
C22H19N7O
Chemical Name:
IC 87114
Synonyms:
4(3H)-Quinazolinone,2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-;2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone;IC 87114;2-[(6-Aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Categories:
Biochemical Engineering > Inhibitors

Description

IC-87114 is a potent and selective PI3Kδ inhibitor with IC50 of 0.5 μM.

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 quinazolines, a member of 6-aminopurines and a biaryl.

IC 87114 Basic Attributes

Molecular Weight：

397.43

Exact Mass：

397.43

UNII：

9HC746B1KF

DSSTox ID：

DTXSID00190617

Characteristics

PSA：

102

XLogP3：

2.61

Density：

1.4±0.1 g/cm3

Boiling Point：

673.7±65.0 °C at 760 mmHg

Flash Point：

361.2±34.3 °C

Refractive Index：

1.759

Drug Information

MeSH Entry Terms：

IC 87114

Computed Properties

Molecular Weight:397.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:397.16510826
Monoisotopic Mass:397.16510826
Topological Polar Surface Area:102
Heavy Atom Count:30
Complexity:684
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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IC-87114

CAS No.: 371242-69-2

Content: 99%

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