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Dichloromethane → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)butanediamide

HRID 657424
ノート
印刷プレビュー

反応式

HRID 657424 の反応式
[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:28][CH3:29])=[C:10]([CH2:19][NH:20][C:21](=[O:27])[CH2:22][CH2:23][C:24]([OH:26])=O)[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2].[CH3:30][N:31]1[CH2:36][CH2:35][CH:34]([CH2:37][C:38]2[CH:39]=[C:40]([C:44]3[CH:49]=[CH:48][CH:47]=[C:46]([CH2:50][NH2:51])[CH:45]=3)[CH:41]=[CH:42][CH:43]=2)[CH2:33][CH2:32]1.C(N(CC)CC)C.ClCCl>CCOC(C)=O>[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:28][CH3:29])=[C:10]([CH2:19][NH:20][C:21](=[O:27])[CH2:22][CH2:23][C:24]([NH:51][CH2:50][C:46]3[CH:45]=[C:44]([C:40]4[CH:41]=[CH:42][CH:43]=[C:38]([CH2:37][CH:34]5[CH2:35][CH2:36][N:31]([CH3:30])[CH2:32][CH2:33]5)[CH:39]=4)[CH:49]=[CH:48][CH:47]=3)=[O:26])[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 57813254({3'-[(1-Methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amineHCID 578198724-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-4-oxobutanoic acid

生成物 1

HCID 44242690
N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)butanediamide

試薬・触媒・溶媒 1

HCID 8857Ethyl Acetate溶媒

実験手順

A mixture of 4-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-4-oxobutanoic acid (0.080 g, 0.198 mmol), (({3′-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amine, triethylamine (0.080 mL, 0.575 mmol) and dichloromethane (DCM) (3 mL) was stirred at room temperature overnight. The LC-MS suggested that the reaction was complete. The reaction was diluted with EtOAc and washed in turn with sat. aq. NaHCO3, then saturated aqueous NaCl. The organic phase was dried (Na2SO4) and evaporated to give a residue (175 mg). This residue was purified on a Gilson HPLC on RP column CH3CN—H2O (0.1% TFA) gradient [10-80%]. Fractions containing the desired product were combined and evaporated to a small volume, then treated with saturated aqueous NaHCO3. The mixture was extracted with EtOAc (2×) and the combined extracts were washed with saturated aqueous NaCl and dried (Na2SO4), then evaporated to a glassy solid (52.2 mg). LC-MS m/z 680.7 (M+H)+, 0.76 min (ret time).

後処理

  1. washwashed in turn with sat. aq. NaHCO3
  2. dry with materialThe organic phase was dried (Na2SO4)
  3. customevaporated

出典と根拠

ORDレコード
ord-524bd5028c344c708221c9dc5fbc81da
出典データセット
uspto-grants-2011_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08071588B2

反応ノート

読み込み中…

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