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Water → 2'-(N-Lysyl)amino-2'-deoxy-cytidine Triphosphate

HRID 1018820
ノート
印刷プレビュー

反応式

HRID 1018820 の反応式
[NH2:1][C@H:2]([C:8]([NH:10][C@@H:11]1[C@H:15]([OH:16])[C@@H:14]([CH2:17][OH:18])[O:13][C@H:12]1[N:19]1[CH:26]=[CH:25][C:23]([NH2:24])=[N:22][C:20]1=[O:21])=[O:9])[CH2:3][CH2:4][CH2:5][CH2:6][NH2:7].[P:27](Cl)(Cl)(Cl)=[O:28].[O-:32][P:33]([O:36][P:37]([O-:40])([O-:39])=[O:38])(=O)[O-:34].C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.[O-]P(OP([O-])([O-])=O)(=O)[O-].CN.[NH4+].[OH-:105].[O-]P(OP(OP([O-])([O-])=O)([O-])=O)(=O)[O-].[OH2:119]>P(OCC)(OCC)(OCC)=O.C(#N)C.CC(O)C>[P:33]([O:18][CH2:17][C@H:14]1[O:13][C@@H:12]([N:19]2[CH:26]=[CH:25][C:23]([NH2:24])=[N:22][C:20]2=[O:21])[C@H:11]([NH:10][C:8](=[O:9])[C@H:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH2:7])[NH2:1])[C@@H:15]1[OH:16])([O:36][P:37]([O:40][P:27]([OH:28])([OH:119])=[O:105])([OH:39])=[O:38])(=[O:34])[OH:32]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

12

反応物 8

HCID 962WaterHCID 6329MethylamineHCID 14923Ammonium HydroxideHCID 24813Phosphorus oxychlorideHCID 644102PyrophosphateHCID 3440921TriphosphateHCID 21910867Tributyl ammonium pyrophosphate
HCID 22899181
2'-(N-lysyl)amino 2'-deoxy cytidine

生成物 1

HCID 228991862'-(N-Lysyl)amino-2'-deoxy-cytidine Triphosphate

試薬・触媒・溶媒 3

HCID 3776Isopropanol溶媒HCID 6342Acetonitrile溶媒2 回HCID 6535Triethyl Phosphate溶媒

反応条件

温度
0 °C

実験手順

2′-(N-lysyl)amino 2′-deoxy cytidine (0.180 g, 0.22 mmol) was dissolved in triethyl phosphate (2.00 ml) under Ar. The solution was cooled to 0° C. in an ice bath. Phosphorus oxychloride (99.999%, 3 eq., 0.0672 mL) was added to the solution and the reaction was stirred for two hours at 0° C. Tributylammonium pyrophosphate (4 eq., 0.400 g) was dissolved in 3.42 mL of acetonitrile and tribuytylamine (0.165 mL). Acetonitrile (1 mL) was added to the monophosphate solution followed by the pyrophosphate solution which was added dropwise. The solution was clear. The reaction was allowed to warm up to room temperature. After stirring for 45 minutes, methyl amine (5 mL) was added and the reaction and stirred at room temperature for 2 hours. A two phase mixture appeared (little beads at the bottom of the flask). TLC (7:1:2 iPrOH:NH4OH:H2O) showed the appearance of a triphosphate material. The solution was concentrated, dissolved in water and loaded on a newly prepared DEAE Sephadex A-25 column. The column was washed with a gradiant up to 0.6 M TEAB buffer and the product eluted off in fractions 90-95. The fractions were analyzed by ion exchange HPLC. Each fraction showed one triphosphate peak that eluted at ˜4.000 minutes. The fractions were combined and pumped down from methanol to remove buffer salt to yield 15.7 mgs of product.

後処理

  1. additionwas added dropwise
  2. temperatureto warm up to room temperature
  3. stirringAfter stirring for 45 minutes
  4. customthe reaction
  5. stirringstirred at room temperature for 2 hours
  6. concentrationThe solution was concentrated
  7. dissolutiondissolved in water
  8. washThe column was washed with a gradiant up to 0.6 M TEAB buffer
  9. washthe product eluted off in fractions 90-95
  10. washthat eluted at ˜4.000 minutes
  11. customto remove buffer salt

出典と根拠

ORDレコード
ord-b00396d83aa6400e9dba41e38b97947e
出典データセット
uspto-grants-2002_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06482932B1

反応ノート

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