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llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
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Toluene → 1-{4-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(4-methyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-ylamino]-cyclohexyl}-3-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-urea Trifluoroacetate

HRID 1641910
ノート
印刷プレビュー

反応式

HRID 1641910 の反応式
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[NH2:8][CH:9]1[CH2:14][CH2:13][CH:12]([NH:15][C:16]2[N:24]=[C:23]3[C:19]([N:20]=[CH:21][N:22]3[C@@H:25]3[CH2:29][C@H:28]([N:30]4[CH:34]=[C:33]([CH3:35])[CH:32]=[N:31]4)[C@@H:27]([OH:36])[C@H:26]3[OH:37])=[C:18]([NH:38][CH2:39][CH:40]([C:47]3[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=3)[C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)[N:17]=2)[CH2:11][CH2:10]1.C1(C)C=CC=CC=1.CC(O)C.[N:64]1[CH:69]=[CH:68][CH:67]=[CH:66][C:65]=1[N:70]1[CH2:75][CH2:74][CH:73]([NH:76][C:77](N2C=CN=C2)=[O:78])[CH2:72][CH2:71]1>C(Cl)Cl>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[OH:37][C@@H:26]1[C@H:27]([OH:36])[C@@H:28]([N:30]2[CH:34]=[C:33]([CH3:35])[CH:32]=[N:31]2)[CH2:29][C@H:25]1[N:22]1[CH:21]=[N:20][C:19]2[C:23]1=[N:24][C:16]([NH:15][CH:12]1[CH2:11][CH2:10][CH:9]([NH:8][C:77]([NH:76][CH:73]3[CH2:72][CH2:71][N:70]([C:65]4[CH:66]=[CH:67][CH:68]=[CH:69][N:64]=4)[CH2:75][CH2:74]3)=[O:78])[CH2:14][CH2:13]1)=[N:17][C:18]=2[NH:38][CH2:39][CH:40]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1)[C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1
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 1140TolueneHCID 3776IsopropanolHCID 21978278N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamideHCID 66736662(1R,2S,3R,5S)-3-[2-(4-Amino-cyclohexylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-methyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate

生成物 1

HCID 86622811
1-{4-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(4-methyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-ylamino]-cyclohexyl}-3-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-urea Trifluoroacetate

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒2 回

実験手順

(1R,2S,3R,5S)-3-[2-(4-Amino-cyclohexylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-methyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate (Example 1) (0.020 g, 0.028 mmol) is dissolved in DCM (2 ml). Toluene (2 ml) and iPrOH (1 ml) are added followed by N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamide (which is prepared using the method described in international patent application WO 01/94368) (0.03 mmol of a 0.1 M solution in DCM). The dichloromethane is removed by vacuo and the reaction mixture is stirred at room temperature. The reaction is shown to be complete by LCMS after 48 hours. The solvent is removed in vacuo. The title compound is obtained by flash column chromatography (Isolute™ C18, 0-100% acetonitrile in water—0.1% TFA). MS (ES+) m/e 811.5 (MH+).

後処理

  1. customis prepared
  2. customThe dichloromethane is removed by vacuo
  3. customThe solvent is removed in vacuo

出典と根拠

ORDレコード
ord-89af76e7d5ae4f7385c2196785b2b6e4
出典データセット
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08114877B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート