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1146702-54-6

1146702-54-6 structural image
Product Name: CAL-101
Formula: C22H18FN7O
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White to off-white powder
Solubility pH-dependent solubility ranging from <0.1 mg/mL at pH 5-7 to over 1 mg/mL at pH 2 under ambient conditions
Stability/Shelf Life Stable if stored in accordance with information listed on the product insert.
Decomposition Hazardous Decomposition or Byproducts: carbon dioxide, carbon monoxide, nitrogen oxides.

COMPUTED DESCRIPTORS

Molecular Weight 415.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 415.15568639 g/mol
Monoisotopic Mass 415.15568639 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 685
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Idelalisib is a member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a member of purines, an organofluorine compound, a member of quinazolines, an aromatic amine and a secondary amino compound.