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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Benzyl {2-[({4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-morpholin-4-ylquinolin-3-yl}carbamate → 3-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}-7-morpholin-4-ylquinoline-2-carboxamide

HRID 924459
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HRID 924459 반응식
[NH2:1][C@H:2]1[CH2:7][C@@H:6]([C:8]([F:11])([F:10])[F:9])[CH2:5][N:4]([C:12]2[CH:17]=[CH:16][N:15]=[CH:14][C:13]=2[NH:18][C:19]([C:21]2[C:30]([NH:31]C(=O)OCC3C=CC=CC=3)=[CH:29][C:28]3[C:23](=[CH:24][C:25]([N:42]4[CH2:47][CH2:46][O:45][CH2:44][CH2:43]4)=[CH:26][CH:27]=3)[N:22]=2)=[O:20])[CH2:3]1>Br.CC(O)=O>[NH2:31][C:30]1[C:21]([C:19]([NH:18][C:13]2[CH:14]=[N:15][CH:16]=[CH:17][C:12]=2[N:4]2[CH2:5][C@H:6]([C:8]([F:10])([F:11])[F:9])[CH2:7][C@H:2]([NH2:1])[CH2:3]2)=[O:20])=[N:22][C:23]2[C:28]([CH:29]=1)=[CH:27][CH:26]=[C:25]([N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1)[CH:24]=2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 1

HCID 86726902Benzyl {2-[({4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-morpholin-4-ylquinolin-3-yl}carbamate

생성물 1

HCID 867269033-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}-7-morpholin-4-ylquinoline-2-carboxamide

시약·촉매·용매 2

HCID 176Acetic Acid용매HCID 260Hydrogen Bromide용매

실험 절차

A mixture of benzyl {2-[({4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-morpholin-4-ylquinolin-3-yl}carbamate (0.005 g, 0.008 mmol) in 2 mL of 4 M HBr in AcOH was stirred at room temperature for 2 h. The solution was then concentrated under reduced pressure and the residue was treated with 4.5 mL of MeOH and 0.5 mL of NH4OH solution. The resulting mixture was filtered and the filtrate was purified by preparative HPLC (XBridge™ C18 column, eluting with a gradient of MeCN/water containing 0.1% NH4OH, at a flow rate of 30 mL/min.) to afford the title compound. LCMS calc. for C25H29F3N7O2 [M+H]+: m/z=516.2. found: 516.3.

후처리

  1. concentrationThe solution was then concentrated under reduced pressure
  2. additionthe residue was treated with 4.5 mL of MeOH and 0.5 mL of NH4OH solution
  3. filtrationThe resulting mixture was filtered
  4. customthe filtrate was purified by preparative HPLC (XBridge™ C18 column
  5. washeluting with a gradient of MeCN/water containing 0.1% NH4OH, at a flow rate of 30 mL/min.)

출처 및 근거

ORD 기록
ord-564c50c1437a4d4a80c602c55a521f72
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09278950B2

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