Ammonia → 4-((S)-2-{[5-(1-Carbamoyl-cyclobutoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-4-carboxy-butyryl)-piperazine-1-carboxylic acid ethyl ester

HRID 1908621노트

반응식

HRID 1908621 반응식
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12](=[O:43])[C@@H:13]([NH:19][C:20]([C:22]2[CH:26]=[C:25]([O:27][C:28]3([C:32](OCC)=[O:33])[CH2:31][CH2:30][CH2:29]3)[N:24]([C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)[N:23]=2)=[O:21])[CH2:14][CH2:15][C:16]([OH:18])=[O:17])[CH2:8][CH2:7]1)=[O:5])[CH3:2].[NH3:44]>CO>[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12](=[O:43])[C@@H:13]([NH:19][C:20]([C:22]2[CH:26]=[C:25]([O:27][C:28]3([C:32](=[O:33])[NH2:44])[CH2:29][CH2:30][CH2:31]3)[N:24]([C:37]3[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=3)[N:23]=2)=[O:21])[CH2:14][CH2:15][C:16]([OH:18])=[O:17])[CH2:8][CH2:7]1)=[O:5])[CH3:2]

참가 물질

4

반응물 2

HCID 222AmmoniaHCID 44126037(4S)-4-([5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl]formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid

생성물 1

HCID 441258184-((S)-2-{[5-(1-Carbamoyl-cyclobutoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-4-carboxy-butyryl)-piperazine-1-carboxylic acid ethyl ester

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

50 mg of 4-((S)-4-Carboxy-2-{[5-(1-ethoxycarbonyl-cyclobutoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-butyryl)-piperazine-1-carboxylic acid ethyl ester were dissolved in 1 ml of a 8 M solution of ammonia in methanol. After 16 h at RT the solvents were evaporated under reduced pressure and the residue was purified by preparative HPLC (C18 reverse phase column, elution with a water/MeCN gradient with 0.1% TFA). The fractions containing the product were evaporated and lyophilized to yield a white solid.

후처리

  1. customAfter 16 h at RT the solvents were evaporated under reduced pressure
  2. customthe residue was purified by preparative HPLC (
  3. washC18 reverse phase column, elution with a water/MeCN gradient with 0.1% TFA)
  4. additionThe fractions containing the product
  5. customwere evaporated
  6. customto yield a white solid

출처 및 근거

ORD 기록
ord-6408ea7d2d564e68a45f6e61d4a0b5e4
출처 데이터셋
uspto-grants-2013_12
특허 번호
US08598179B2

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