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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。

2715120- 86-6Upadacitinib Bisacyl Impurity

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カタログ番号:	VE0027853
CAS番号:	2715120- 86-6
分子式:	C20H21F6N7O2
分子量:	505.42 g/mol

見積もり依頼

RFQリストに追加

に関する追加情報 CAS 2715120- 86-6

親薬物

Upadacitinib

IUPAC名

8-((3R,4S)-4-ethyl-1-((2,2,2-trifluoroethyl)carbamoyl) pyrrolidin-3-yl)-N-(2,2,2- trifluoroethyl)-3H-imidazo[1,2-a] pyrrolo[2,3-e]pyrazine-3-carboxamide

Pharmacopeial Synonyms

N/A

同義語

N/A

SMILES

O=C(N1C=CC2=C1N=CC3=NC=C([C@H]4CN(C(NCC(F)(F)F)=O)C[C@H]4CC)N32)NCC(F)(F)F

InChI

InChI=1S/C20H21F6N7O2/c1-2-11-7-31(17(34)29-9-19(21,22)23)8-12(11)14-5-27-15-6-28-16-13(33(14)15)3-4-32(16)18(35)30-10-20(24,25)26/h3-6,11-12H,2,7-10H2,1H3,(H,29,34)(H,30,35)/t11-,12+/m1/s1

説明

Upadacitinib Bisacyl Impurity (CAS 2715120-86-6) is a process-related degradant detected during upadacitinib synthesis and stability testing. Analytical characterization by LC-MS, HPLC and NMR confirms the bisacyl structural motif and mass shift indicative of acylation of the parent scaffold. Left uncontrolled, this impurity can affect API purity and stability, so validated quantitation methods with MS confirmation and forced-degradation studies are recommended for reliable impurity profiling. Control measures typically target acylation step optimization, purification parameter adjustment and specification setting in line with ICH Q3A/B thresholds, with reporting of retention time, exact mass and fragmentation pattern.