870281-86-0

Basic information

• Product Name: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
• Synonyms: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one;2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone;Idelalisib INT;CAL-101 (N-1) Intermediate;(S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one;IdelalisibIntermediates 1
• CAS NO: 870281-86-0
• Molecular Formula: C₁₇H₁₆FN₃O
• Molecular Weight: 297.3268432
• Product Categories: intermediate;intermediates
• Mol File: 870281-86-0.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 455.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.27±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.23±0.29(Predicted)
• CAS DataBase Reference: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one(870281-86-0)
• EPA Substance Registry System: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one(870281-86-0)

Safety Data

• Hazardous Substances Data: 870281-86-0(Hazardous Substances Data)

Usage

General Description

The chemical compound "(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one" is a quinazolinone derivative with a fluorine atom and a phenyl group attached to the quinazolinone ring. Its molecular structure includes an (S)-2-(1-aminopropyl) side chain, which contains a primary amine group. (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one has potential pharmacological properties due to its quinazolinone scaffold, which is known for its various biological activities, including anticancer, antimicrobial, and anti-inflammatory effects. The functional groups present in the molecule offer opportunities for further modification and development of novel drug candidates for the treatment of various diseases.

Upstream product

• 62-53-3 aniline 
• 434-76-4 2-amino-6-fluorobenzoic acid 
• 78755-94-9 5-fluoro-2H-benzo[d][1,3]-oxazine-2,4(1H)-dione 
• 385-02-4 6-fluoro-2-nitrobenzoic acid 
• 1417456-04-2 2-amino-6-fluoro-N-phenyl-benzamide 
• 870281-84-8 (S)-[1-(2-fluoro-6-nitro-benzoy)phenylaminocarbonyl]propyl carbamic acid tert-butyl ester 
• 870281-83-7 2-fluoro-6-nitro-N-phenyl-benzamide 
• 870281-85-9 (S)-(1-(5-fluoro-4-carbonyl-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamic acid tert-butyl ester 

Downstream Products

• 870281-82-6 5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-3,4-dihydroquinazolin-4-one 

Relevant articles and documents

Synthesis and biological evaluation of novel purinyl quinazolinone derivatives as PI3Kδ-specific inhibitors for the treatment of hematologic malignancies

Phosphatidylinositol 3-kinases (PI3Ks) mediate intracellular signal transduction. Aberrant PI3K signaling is associated with oncogenesis and disease progression in solid tumors and hematologic malignancies. Idelalisib (1), a first-in-class PI3Kδ inhibitor for the treatment of hematologic malignancies, was developed, but its sales were limited by black box warnings due to unexpected adverse effects. Therefore, to overcome these adverse events, various quinazolinone derivatives were synthesized and evaluated in vitro based on their inhibitory activity against the PI3K enzyme and the viability of cell lines such as MOLT and SUDHL. Among them, 6f (IC50 = 0.39 nM) and 6m (IC50 = 0.09 nM) showed excellent enzyme activity, and 6m displayed an approximately four-fold higher selectivity for PI3Kγ/δ compared with Idelalisib (1). Furthermore, in vivo PK experiments with 6f and 6m revealed that 6f (AUClast = 81.04 h*ng/mL, Cmax = 18.34 ng/mL, Tmax = 0.5 h, t1/2 = 10.2 h in 1 mpk dose) had improved PK compared with 1. Finally, further experiments will be conducted with 6f selected as a candidate, and the potential for it to be developed as a treatment with good efficacy for hematologic malignancies will be determined.

O-fluorine o-imidogen benzoic acid intermediate compound as well as preparation method and application thereof

The invention relates to an o-fluorine o-imidogen benzoic acid intermediate compound as well as a preparation method and application thereof, and belongs to the technical field of medicine intermediate synthesis. To solve the problems of hard separation a

HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT

The present invention relates to a heteroaryl derivative or a pharmaceutically acceptable salt thereof, a preparation method therefor, and a pharmaceutical composition for preventing or treating diseases associated with PI3 kinases, containing the same as an active ingredient. The heteroaryl derivative according to the present invention has an excellent effect of selectively inhibiting PI3 kinases, thereby being useful in preventing or treating PI3 kinase diseases such as: cancers, autoimmune diseases, and respiratory diseases.