Isonicotinic Acid → HCID 178457821, 화합물

HRID 518650노트

반응식

HRID 518650 반응식
[CH:1]([NH:4][C:5]([C@@H:7]1[CH2:12][CH2:11][C@H:10]([N:13]2[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/[C:14]/2=[N:31]\[C:32]([C:34]2[CH:35]=[CH:36]C3C=CS[C:38]=3[CH:42]=2)=[O:33])[CH2:9][CH2:8]1)=[O:6])([CH3:3])[CH3:2].C(O)(=O)C1C=C[N:47]=CC=1>>[CH:1]([NH:4][C:5]([C@@H:7]1[CH2:8][CH2:9][C@H:10]([N:13]2[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/[C:14]/2=[N:31]\[C:32](=[O:33])[C:34]2[CH:35]=[CH:36][N:47]=[CH:38][CH:42]=2)[CH2:11][CH2:12]1)=[O:6])([CH3:2])[CH3:3]

참가 물질

3

반응물 2

HCID 5922Isonicotinic AcidHCID 178457785HCID 178457785, 화합물

생성물 1

HCID 178457821HCID 178457821, 화합물수율 44.2%

실험 절차

The title compound was prepared using a method analogous to the preparation of (E)-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzo[b]thiophene-6-carboxamide, using isonicotinic acid. After preparative HPLC purification, the TFA salt was free-based using an SCX-ion exchange column to obtain (E)-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)isonicotinamide as a tan solid (44.2% yield). MS m/z=534.2 [M+H], calc 533.67 for C29H39N7O3.

후처리

  1. customThe title compound was prepared
  2. customAfter preparative HPLC purification

출처 및 근거

ORD 기록
ord-fa3339d03c3349dbbc697b1045096e45
출처 데이터셋
uspto-grants-2015_08
특허 번호
US09115127B2

반응 노트

불러오는 중…