hydrogen bis(POM)phosphate | 186182-43-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: hydrogen bis(POM)phosphate
• CAS: 186182-43-4
• 化学式: C₁₂H₂₃O₇P
• 分子量: 310.284
• InChiKey: LISCRZMEFVBBIB-UHFFFAOYSA-N

物化性质

• 沸点：
  368.0±27.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  88.13
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  hydrogen bis(POM)phosphate 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 bis[(pivaloyloxy)methyl] chlorophosphate
  参考文献：
  名称：

  A phosphorylated prodrug for the inhibition of Pin1

  摘要：

  Fmoc-pSer-psi[(Z)CH = C]-Pro-(2)-N-(3)-ethylaminoindole 1, showed moderate inhibition towards the mitotic regulator, Pin1 (IC50 = 28.3 mu M). To improve the cell permeability, the charged phosphate was masked as the bis-pivaloyloxymethyl (POM) phosphate in Fmoc-(bisPOM)-pSer-psi[(Z)CH = C]-Pro-(2)-N-(3)-ethylaminoindole 2. Antiproliferative activity towards A2780 ovarian cancer cells of 1 (IC50 = 46.2 mu M) was improved significantly in 2 (IC50 = 26.9 mu M), comparable to the IC50 of 1 towards Pin1 enzymatic activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.073
• 作为产物：
  描述：

  特戊酸氯甲酯 在 sodium iodide 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 26.0h， 生成 hydrogen bis(POM)phosphate
  参考文献：
  名称：

  膦甲酸三钠（膦酸钠）的选定酰氧基烷基酯的合成，水解行为和抗HIV活性

  摘要：

  描述了膦酸甲酸钠（膦甲酸钠）的选定（酰氧基）烷基酯的合成和抗HIV活性。双（三甲基甲硅烷基）（烷氧基羰基）膦酸酯11a-d的转化为相应的溶解盐12a-d，然后它们与丙烯酸碘代烷基酯4a-c反应，得到所需的双（酰氧基烷基）膦酸酯6-9（ac）。在测试的类似物中，只有二氯苯基类似物9a在H9细胞中显示出对HIV活性的剂量依赖性抑制。使用31 P-NMR，已对生物可逆性进行了研究，以试图合理化这些结果。

  DOI：

  10.1002/jps.2600830916

文献信息

• THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20170233429A1

  公开（公告）日：2017-08-17

  Disclosed are a compound and a pharmaceutical composition that exhibit an excellent drug efficacy against a tumor, in particular a tumor which has acquired resistance to gemcitabine. Specifically, provided is a thionucleoside derivative represented by General Formula [1] (in the formula, R 1 represents a hydroxyl group which may be protected, a C 1-20 alkoxy group which may be substituted, or the like; R 2 represents a C 1-20 alkoxy group which may be substituted, a C 3-8 cycloalkoxy group which may be substituted, or the like; and R 3 represents a hydrogen atom or the like); or a salt thereof. Further, provided is a pharmaceutical composition containing such a thionucleoside derivative or a salt thereof.

  揭示了一种化合物和药物组合物，对抗抗对吉西他滨产生耐药性的肿瘤表现出优异的药效。具体来说，提供了一种由通用式[1]表示的硫代核苷衍生物 （在公式中，R1代表可能被保护的羟基、可能被取代的C1-20烷氧基等；R2代表可能被取代的C1-20烷氧基、可能被取代的C3-8环烷氧基等；R3代表氢原子等）或其盐。此外，提供了含有这种硫代核苷衍生物或其盐的药物组合物。
• Substituted guanidine derivatives
  申请人：——

  公开号：US20030018056A1

  公开（公告）日：2003-01-23

  A compound represented by the following formula: 1 wherein R is a substituted or unsubstituted benzene ring, a fused polycyclic hydrocarbon ring which is substituted or unsubstituted, a monocyclic heterocyclic ring which is substituted or unsubstituted, a polycyclic heterocyclic ring which is substituted or unsubstituted, A and E are independently a single bond, a lower alkylene group or the like, G is a single bond, an oxygen atom or the like, and Y is a —SO 3 H group or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is useful as a therapeutic or prophylactic agent for diseases caused by the acceleration of the sodium/proton exchange transport system.

  以下化合物的化学式：1其中R是取代或未取代的苯环，取代或未取代的融合多环碳氢环，取代或未取代的单环杂环环，取代或未取代的多环杂环环，A和E分别是单键，低碳烷基或类似物，G是单键，氧原子或类似物，Y是—SO3H基团或类似物，该化合物的前药，或该化合物或前药的药学可接受的盐对于由于钠/质子交换转运系统加速引起的疾病是有用的治疗或预防剂。
• Benzamide derivatives
  申请人：Imazaki Naonori

  公开号：US20050182040A1

  公开（公告）日：2005-08-18

  A compound represented by formula (1): wherein X is a single bond or a substituted or unsubstituted lower alkylene group; Z is a saturated or unsaturated monocyclic hydrocarbon ring group or the like; and each of R 1 , R 2 , R 3 and R 4 , which may be the same or different, is a hydrogen atom, a halogen atom, a nitro group, a cyano group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug has inhibitory effect on Rho kinase and hence is useful for treating diseases which are such that morbidity due to them is expected to be improved by inhibition of Rho kinase and secondary effects such as inhibition of the Na + /H + exchange transport system caused by the Rho kinase inhibition, for example, hypertension.

  一种由公式（1）表示的化合物：其中X是单键或取代或未取代的较低烷基链；Z是饱和或不饱和的单环烃基环或类似物；而每个R1、R2、R3和R4，可以相同也可以不同，是氢原子、卤素原子、硝基、氰基、羧基、取代或未取代的烷基或类似物，该化合物的前药，或该化合物或前药的药学上可接受的盐具有抑制Rho激酶的作用，因此可用于治疗因抑制Rho激酶而预计疾病的发病率得到改善的疾病，例如高血压，并且由于Rho激酶抑制所引起的Na+/H+交换转运系统的抑制等二次效应。
• SUBSTITUTED GUANIDINE DERIVATIVES
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1238971A1

  公开（公告）日：2002-09-11

  A compound represented by the following formula: wherein R is a substituted or unsubstituted benzene ring, a fused polycyclic hydrocarbon ring which is substituted or unsubstituted, a monocyclic heterocyclic ring which is substituted or unsubstituted, a polycyclic heterocyclic ring which is substituted or unsubstituted, A and E are independently a single bond, a lower alkylene group or the like, G is a single bond, an oxygen atom or the like, and Y is a -SO3H group or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is useful as a therapeutic or prophylactic agent for diseases caused by the acceleration of the sodium/proton exchange transport system.

  下式所代表的化合物： 其中 R 是取代或未取代的苯环、取代或未取代的融合多环烃环、取代或未取代的单环杂环、取代或未取代的多环杂环，A 和 E 独立地为单键、低级亚烷基或类似基团、G是单键、氧原子或类似物，Y是-SO3H基团或类似物，所述化合物的原药或所述化合物或原药的药学上可接受的盐可用作钠/质子交换转运系统加速所致疾病的治疗剂或预防剂。
• BENZAMIDE DERIVATIVES
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1500643A1

  公开（公告）日：2005-01-26

  A compound represented by formula (1): wherein X is a single bond or a substituted or unsubstituted lower alkylene group; Z is a saturated or unsaturated monocyclic hydrocarbon ring group or the like; and each of R1, R2, R3 and R4, which may be the same or different, is a hydrogen atom, a halogen atom, a nitro group, a cyano group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug has inhibitory effect on Rho kinase and hence is useful for treating diseases which are such that morbidity due to them is expected to be improved by inhibition of Rho kinase and secondary effects such as inhibition of the Na+/H+ exchange transport system caused by the Rho kinase inhibition, for example, hypertension.

  由式（1）代表的化合物： 其中 X 是单键或取代或未取代的低级亚烷基； Z 是饱和或不饱和的单环烃环基或类似物；以及 R1、R2、R3 和 R4（可以相同或不同）中的每一个是氢原子、卤素原子、硝基、氰基、羧基、取代或未取代的烷基或类似物，所述化合物的原药、或所述化合物或原药的药学上可接受的盐对 Rho 激酶有抑制作用，因此可用于治疗因抑制 Rho 激酶而发病率有望得到改善的疾病，以及因抑制 Rho 激酶而导致 Na+/H+ 交换转运系统受到抑制等副作用的疾病，例如高血压。