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Iodine → ap-dUTP

HRID 1168688
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HRID 1168688 반응식
C([O:4][C@@H:5]1[C@@H:9]([CH2:10][OH:11])[O:8][C@@H:7]([N:12]2[CH:19]=[C:18]([C:20]#[C:21][CH2:22][NH:23]C(=O)C(F)(F)F)[C:16](=[O:17])[NH:15][C:13]2=[O:14])[CH2:6]1)(=O)C.Cl[P:31]1[O:36]C(=O)C2C=CC=CC=2[O:32]1.[O-:42][P:43]([O:46][P:47]([O-])([O-:49])=[O:48])(=[O:45])[O-:44].C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C([NH+](CCCC)CCCC)CCC.C(N(CCCC)CCCC)CCC.II.[O-:118]S([O-])=O.[Na+].[Na+]>N1C=CC=CC=1.O1CCOCC1.CN(C=O)C.N1C=CC=CC=1.O>[P:31]([O:11][CH2:10][C@H:9]1[O:8][C@@H:7]([N:12]2[CH:19]=[C:18]([C:20]#[C:21][CH2:22][NH2:23])[C:16](=[O:17])[NH:15][C:13]2=[O:14])[CH2:6][C@@H:5]1[OH:4])([O:36][P:47]([O:46][P:43]([OH:45])([OH:44])=[O:42])([OH:49])=[O:48])(=[O:118])[OH:32]
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참가 물질

11

반응물 6

HCID 807IodineHCID 7622TributylamineHCID 24437Sodium SulfiteHCID 2370102-Chloro-4H-1,3,2-benzodioxaphosphorin-4-oneHCID 213622903'-O-Acetyl-5-(3-trifluoroacetamidopropyn-1-yl)-2'-deoxyuridineHCID 21910867Tributyl ammonium pyrophosphate

생성물 1

HCID 18664765
ap-dUTP

시약·촉매·용매 4

HCID 1049Pyridine용매2회HCID 6228Dimethylformamide용매HCID 312751,4-Dioxane용매HCID 66926435Pyridine water용매

실험 절차

Triphosphates were synthesized by the method of Ludwig and Eckstein (J. Ludwig and F. Eckstein (1989) J. Org. Chem. 54, 631). 3′-O-Acetyl-5-(3-trifluoroacetamidopropyn-1-yl)-2′-deoxyuridine (0.1 mmol, 41.9 mg) was coevaporated with pyridine and dissolved in dry pyridine (0.1 mL)/dry 1,4-dioxane (0.3 mL). 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one (1.1 equiv., 0.11 mL 1 M solution) was added. A precipitate was formed and the mixture was stirred for 10 min. Then, tributylammonium pyrophosphate (70 mg) in dry DMF (0.35 mL)/tributylamine (0.1 mL) was added, giving a clear solution which was stirred for 10 min. An 1% solution of iodine in pyridine/water 98:2 (2.2 mL) was added and the immediately decolorized solution was stirred for another 15 min. After addition of a few drops of a 5% Na2SO3 solution it was evaporated at room temperature, the residue taken up in water (5 mL) and stirred at room temperature for 30 min. Then, concentrated aqueous ammonia (20 mL) was added and the mixture stirred at 50° C. for 4 h. The organic solvents were removed by rotary evaporation at room temperature and the residue purified by column chromatography (Sephadex DEAE cellulose, previously equilibrated with TEAB buffer) using a 0.2 M-0.6 M gradient of triethylammonium bicarbonate (TEAB) buffer solution. The UV active fractions were evaporated at room temperature to yield 5-(3-aminopropyn-1-yl)-2′-deoxyuridine triphosphate, contaminated with some diphosphate.

후처리

  1. customA precipitate was formed
  2. customgiving a clear solution which
  3. stirringwas stirred for 10 min
  4. stirringthe immediately decolorized solution was stirred for another 15 min
  5. customwas evaporated at room temperature
  6. stirringstirred at room temperature for 30 min
  7. additionThen, concentrated aqueous ammonia (20 mL) was added
  8. stirringthe mixture stirred at 50° C. for 4 h
  9. customThe organic solvents were removed by rotary evaporation at room temperature
  10. customthe residue purified by column chromatography (Sephadex DEAE cellulose
  11. customThe UV active fractions were evaporated at room temperature

출처 및 근거

ORD 기록
ord-b5ac65873cc64cab9e0ffa4745966171
출처 데이터셋
uspto-grants-2003_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06627456B1

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