371242-69-2
Product Name:
2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone
Formula:
C22H19N7O
Synonyms:
Phosphatidylinositol 3-Kinase p110d Inhibitor, PI 3-K Inhibitor X;PI 3-Kδ Inhibitor X, IC87114 - CAS 371242-69-2 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 397.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.16510826 g/mol |
| Monoisotopic Mass | 397.16510826 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 684 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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.