CAS 870281-86-0

2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

Description:

2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone, with the CAS number 870281-86-0, is a synthetic organic compound that belongs to the quinazolinone class of compounds. This substance features a quinazolinone core structure, which is characterized by a fused bicyclic system containing both a benzene and a pyrimidine ring. The presence of a fluorine atom at the 5-position and a phenyl group at the 3-position contributes to its unique chemical properties and potential biological activity. The (1S)-1-aminopropyl substituent indicates a chiral center, which may influence the compound's pharmacological effects and interactions with biological targets. This compound has garnered interest in medicinal chemistry for its potential applications in drug development, particularly in the context of targeting specific receptors or enzymes. Its solubility, stability, and reactivity can vary based on the functional groups present, making it a subject of study for various therapeutic applications.

Formula: C₁₇H₁₆FN₃O

InChI: InChI=1S/C17H16FN3O/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11/h3-10,13H,2,19H2,1H3/t13-/m0/s1

InChI key: InChIKey=BNMGOWXQUZHWIO-ZDUSSCGKSA-N

SMILES: [C@@H](CC)(N)C=1N(C(=O)C=2C(N1)=CC=CC2F)C3=CC=CC=C3

Synonyms:

• (S)-1-(5-Fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propan-1-amine
• (S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
• 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenylquinazolin-4-one
• 4(3H)-Quinazolinone, 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-
• 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

CAS: 870281-86-0

Formula: C₁₇H₁₆FN₃O

Purity: 95%

Color and Shape: Solid

Molecular weight: 297.3268

Ref: IN-DA00GTWX

(S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

CAS: 870281-86-0

(S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

Purity: 99%

Molecular weight: 297.33g/mol

Ref: 54-PC103876

Idelalisib Impurity 5

CAS: 870281-86-0

Formula: C₁₇H₁₆FN₃O

Color and Shape: Off-White Solid

Molecular weight: 297.33

Ref: 4Z-I-084010

2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

Controlled Product

CAS: 870281-86-0

Applications 2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone is used as reagent/reactant in synthetic preparation of idelalisib using the HMDS/I2-catalyzed cyclocondensation and Boc deprotection of an (aminobutyrylamino)benzamide to a nonracemic quinazoline as the key step.
References Liu, J., et al.: Org. Prep. Proced. Int., 48, 337-341 (2016);

Formula: C₁₇H₁₆FN₃O

Color and Shape: Neat

Molecular weight: 297.33

Ref: TR-A628755

Idelalisib Impurity 1

CAS: 870281-86-0

Formula: C₁₇H₁₆FN₃O

Molecular weight: 297.3

Ref: ST-EA-CP-I46007

2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

Controlled Product

CAS: 870281-86-0

Intermediate in the synthesis of idelalisib (CAL 101)

Formula: C₁₇H₁₆FN₃O

Purity: Min. 95%

Molecular weight: 297.33 g/mol

Ref: 3D-FA96431