2-Cyanoethyl phosphate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: 2-Cyanoethyl phosphate
• 化学式: C3H4NO4P-2
• 分子量: 149.04
• InChiKey: NJDPBWLDVFCXNP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  96.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-ethyl-3'-acetyl-2'-desoxyuridine 、 N,N'-二环己基碳二亚胺 、 2-Cyanoethyl phosphate 、 Azane;propan-2-ol;hydrate 以 吡啶 为溶剂， 以to obtain 200 mg (62% yield) of 5-ethyl-2'-desoxyuridine-5'-monophosphate with an Rf=0.17 [1-7-2 ammonia-isopropanol-water mixture]的产率得到2'-Deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
  参考文献：
  名称：

  Novel monophosphates

  摘要：

  这句话的翻译为：公式为##STR1##的小分子化合物，其中R为碳原子数为2到6的低碳烷基，具有抗病毒活性。

  公开号：

  US04271153A1

文献信息

• Compounds and methods for delivery of prostacyclin analogs
  申请人：Phares Ken

  公开号：US20050085540A1

  公开（公告）日：2005-04-21

  This invention pertains generally to prostacyclin analogs and methods for their use in promoting vasodilation, inhibiting platelet aggregation and thrombus formation, stimulating thrombolysis, inhibiting cell proliferation (including vascular remodeling), providing cytoprotection, preventing atherogenesis and inducing angiogenesis. Generally, the compounds and methods of the present invention increase the oral bioavailability and circulating concentrations of treprostinil when administered orally. Compounds of the present invention have the following formula:

  本发明涉及前列环素类似物及其在促进血管扩张、抑制血小板聚集和血栓形成、刺激溶栓、抑制细胞增殖（包括血管重塑）、提供细胞保护、预防动脉粥样硬化和诱导血管生成方面的应用方法。一般而言，本发明的化合物和方法在口服给药时增加了曲前列素的口服生物利用度和循环浓度。本发明的化合物具有以下公式：
• 5'-Diphosphohexose nucleoside pharmaceutical compositions
  申请人：University of Georgia Research Foundation Inc.

  公开号：US05159067A1

  公开（公告）日：1992-10-27

  Compounds of the general formula: ##STR1## wherein A, B, and C are hydrogen, halogen, or azido; D is hydrogen, halogen, azido, or OH; A and B or C and D can be replaced with a double bond; R is an aldohexose, aldohexosamine, or N-acetyl aldohexosamine, R.sub.1 and R.sub.2 are hydrogen or alkyl groups of from C.sub.1 to C.sub.10 ; W is oxygen or sulfur; X is oxygen, sulfur, or CH.sub.2 ; Y is a purine or pyrimidine base, and Z is carbon, sulfur, or oxygen. Y can be any purine or pyrimidine base, natural or synthetic, which combines with a sugar to form a biologically active nucleoside. In combination with an appropriate pharmaceutical carrier, the compositions have enhanced activity or increased intracellular absorbment over the parent nucleoside as a function of the 5'-O-diphosphosugar. Another embodiment of the present invention is the enhancement of biologically active nucleosides into cells by preparing and administering the 5'-O-diphosphohexose, 5'-diphospho-N-acetylhexosamine or 5'-diphosphohexosamine derivative of the nucleoside. In the preferred embodiment for therapeutic use, the compounds are provided in a pharmaceutical carrier in an amount sufficient to exhibit as known in vitro or in vivo biological activity.

  一般式为：##STR1## 的化合物，其中A、B和C为氢、卤素或叠氮基；D为氢、卤素、叠氮基或羟基；A和B或C和D可以被双键替换；R为醛基己糖、醛基己糖胺或N-乙酰醛基己糖胺，R.sub.1和R.sub.2为C.sub.1到C.sub.10的氢或烷基；W为氧或硫；X为氧、硫或CH.sub.2；Y为嘌呤或嘧啶碱基，Z为碳、硫或氧。Y可以是任何嘌呤或嘧啶碱基，天然或合成的，与糖结合形成生物活性核苷的。与适当的药物载体结合后，这些组合物具有比母核苷更强的活性或增加细胞内吸收的功能，这是由于5'-O-二磷酸糖的作用。本发明的另一实施例是通过制备和给予核苷的5'-O-二磷酸己糖、5'-二磷酰N-乙酰己糖胺或5'-二磷酸己糖胺衍生物，增强生物活性核苷进入细胞。在治疗用的优选实施例中，这些化合物以足够量提供在体外或体内已知的生物活性，以药物载体的形式提供。
• 5'-diphosphohexose nucleoside pharmaceutical compositions
  申请人：University of Georgia Research Foundation

  公开号：US05118672A1

  公开（公告）日：1992-06-02

  This invention provides compounds and pharmaceutical compositions that include compounds of the formula: ##STR1## in which A, B, and C are hydrogen, halogen, or azido; D is hydrogen, halogen, azido, or OH; A and B or C and D can be replaced with a double bond; R is an aldohexose, aldohexosamine, or N-acetyl aldohexosamine, W is O or S; X is O, S, or CH.sub.2 ; Y is a purine or pyrimidine base, Z is C, S, or O, and wherein when Z is S or O, A and C are not present. The compounds of this inverntion have enhanced pharmaceutical or biological activity or increased intracellular absorption compared to the corresponding parent nucleoside as a function of the 5'-diphosphohexose moiety. Many of these compounds have antiviral, including anti-HIV, activity. Others have antibacterial activity. In one embodiment, the invention is a method to treat HIV infection and opportunistic infections concomitantly.

  本发明提供了一种化合物和制药组合物，其中包括式子的化合物：##STR1## 其中A、B和C是氢、卤素或叠氮基；D是氢、卤素、叠氮基或OH；A和B或C和D可以被双键替换；R是醛基己糖、醛基己糖胺或N-乙酰基醛基己糖胺，W是O或S；X是O、S或CH.sub.2；Y是嘌呤或嘧啶碱基，Z是C、S或O，其中当Z是S或O时，A和C不存在。这些化合物具有增强的制药或生物活性或与相应的母核苷酸相比具有增加的细胞内吸收能力，这是由于5'-二磷酸己糖基团的功能。这些化合物中的许多具有抗病毒，包括抗HIV活性。其他具有抗菌活性。在一种实施方式中，本发明是一种同时治疗HIV感染和机会性感染的方法。
• COMPOUNDS AND METHODS FOR DELIVERY OF PROSTACYCLIN ANALOGS
  申请人：Phares Ken

  公开号：US20110118213A1

  公开（公告）日：2011-05-19

  This invention pertains generally to prostacyclin analogs and methods for their use in promoting vasodilation, inhibiting platelet aggregation and thrombus formation, stimulating thrombolysis, inhibiting cell proliferation (including vascular remodeling), providing cytoprotection, preventing atherogenesis and inducing angiogenesis. Generally, the compounds and methods of the present invention increase the oral bioavailability and circulating concentrations of treprostinil when administered orally. Compounds of the present invention have the following formula:

  本发明涉及前列环素类似物及其在促进血管扩张、抑制血小板聚集和血栓形成、刺激溶栓、抑制细胞增殖（包括血管重塑）、提供细胞保护、预防动脉粥样硬化和诱导血管生成方面的用途。一般而言，本发明的化合物和方法在口服时可增加曲前列素的口服生物利用度和循环浓度。本发明的化合物具有以下公式：
• Novel monophosphates
  申请人：Robugen GmbH Pharmazeutische Fabrik

  公开号：US04271153A1

  公开（公告）日：1981-06-02

  Novel 5-lower alkyl-2'-desoxyuridine-5'-monophosphates of the formula ##STR1## wherein R is lower alkyl of 2 to 6 carbon atoms having antiviral activity.

  这句话的翻译为：公式为##STR1##的小分子化合物，其中R为碳原子数为2到6的低碳烷基，具有抗病毒活性。