N-Isopropyl-2-(3-(4-oxo-4,4a-dihydroquinazolin-2-yl)phenoxy)acetamide
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内容: HPLC、MASS/LC-MS、1H NMR、FT-IR、含量、構造解析レポート(SER)、および製品に応じた追加分析データ。

2121561-39-3N-Isopropyl-2-(3-(4-oxo-4,4a-dihydroquinazolin-2-yl)phenoxy)acetamide

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カタログ番号:VE0025753
CAS番号:2121561-39-3
分子式:C19H19N3O3
分子量:337.38 g/mol

に関する追加情報 CAS 2121561-39-3

親薬物

Belumosudil

IUPAC名

N-Isopropyl-2-(3-(4-oxo-4,4a-dihydroquinazolin-2-yl)phenoxy)acetamide

同義語

Acetamide, 2-[3-(3,4-dihydro-4-oxo-2-quinazolinyl)phenoxy]-N-(1-methylethyl); 2-[3-(3,4-Dihydro-4-oxo-2-quinazolinyl)phenoxy]-N-(1-methylethyl)acetamide

SMILES

O=C(NC(C)C)COC1=CC=CC(C(N=C2C=CC=CC32)=NC3=O)=C1

InChI

InChI=1S/C19H19N3O3/c1-12(2)20-17(23)11-25-14-7-5-6-13(10-14)18-21-16-9-4-3-8-15(16)19(24)22-18/h3-10,12,15H,11H2,1-2H3,(H,20,23)

説明

N-Isopropyl-2-(3-(4-oxo-4,4a-dihydroquinazolin-2-yl)phenoxy)acetamide (CAS 2121561-39-3), also described as Acetamide, 2-[3-(3,4-dihydro-4-oxo-2-quinazolinyl)phenoxy]-N-(1-methylethyl), is an identifiable process-related impurity characterized by a quinazolinone core linked to a phenoxy acetamide side chain with an N-isopropyl substituent. Its presence typically arises from incomplete cyclization, O-alkylation side reactions or partial acylation during synthesis and can affect assay, purity and stability profiles. Analytical control is achieved using reversed-phase HPLC coupled with LC-MS and confirmed by NMR and HRMS. Control strategies include optimized reaction conditions, targeted purification, specification limits consistent with ICH impurity guidance and forced-degradation studies to define degradant pathways.

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