1-hydroxy-decane-1,1-bisphosphonate | 2809-23-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 1-hydroxy-decane-1,1-bisphosphonate
• 英文别名: (1-Hydroxy-1-phosphonodecyl)phosphonic acid
• CAS: 2809-23-6
• 化学式: C₁₀H₂₄O₇P₂
• 分子量: 318.244
• InChiKey: NSCPCMXKWUFFNL-UHFFFAOYSA-N

物化性质

• 沸点：
  550.9±60.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  135
• 氢给体数：
  5
• 氢受体数：
  7

制备方法与用途

BPH-252是一种具有生物活性的化学物质。

反应信息

• 作为产物：
  描述：

  正癸酸 在 甲烷磺酸 、 亚磷酸 、 三氯化磷 作用下， 反应 16.0h， 生成 1-hydroxy-decane-1,1-bisphosphonate
  参考文献：
  名称：

  双膦酸酯对酸性鞘磷脂酶的强效和选择性抑制作用

  摘要：

  不仅仅是修补骨头：简单的双氨基双膦酸酯（参见图片）是迄今为止已知的最有效的酸性鞘磷脂酶抑制剂。它可以一步一步合成，并在体外抑制细胞死亡。由于酸性鞘磷脂酶是炎性肺部疾病的推定药物靶标，因此双膦酸盐可用于治疗肺部疾病。

  DOI：

  10.1002/anie.200903288

文献信息

• Bisphosphonates as inhibitors of acid sphingomyelinase
  申请人：Humboldt Universität zu Berlin

  公开号：EP2289900A1

  公开（公告）日：2011-03-02

  The present invention refers to bisphosphonate and phosphonate/phosphate compounds of Formulae I and II and its use as inhibitors of aSMase enzyme activity.

  本发明涉及Formulae I和II的双膦酸盐和膦酸盐/磷酸盐化合物，以及其作为aSMase酶活性抑制剂的用途。
• BISPHOSPHONATE COMPOUNDS AND METHODS
  申请人：Oldfield Eric

  公开号：US20070275931A1

  公开（公告）日：2007-11-29

  The invention provides, inter alia, novel bisphosphonate compounds and methods of making and using. In embodiments, the invention provides compounds and methods in connection with research and therapeutic applications, e.g., for tumor cell growth inhibition, activation of gammadelta T cells, inhibition of farnesyldiphosphate (FPPS) and/or undecaprenyldiphosphate synthase enzymes, bone resorption diseases, cancer, immune disorders, immunotherapy, and infectious diseases. In regards to certain embodiments, a surprising advance has been the recognition that certain structural features can significantly enhance the activity of the compounds. For example, the presence of particular cationic species e.g., phosphonium, sulfonium, and arsonium moieties can contribute to desirable functional activity when positioned near a bisphosphonate moiety. In other embodiments of non-nitrogen containing bisphosphonates, terphenyl and benzyl bisphosphonate compounds and methods are provided. Further variations are also provided.

  本发明提供了新型双膦酸盐化合物及其制备和使用方法。在实施例中，本发明提供了与研究和治疗应用相关的化合物和方法，例如用于抑制肿瘤细胞生长、激活γδT细胞、抑制法尼酰二磷酸合酶（FPPS）和/或十一烷基二磷酸合酶酶、骨吸收疾病、癌症、免疫失调、免疫疗法和传染病。关于某些实施例，一个令人惊讶的进展是认识到某些结构特征可以显著增强化合物的活性。例如，特定阳离子物种的存在，例如磷酸铵、磺酸盐和砷酸盐基团，当位于双膦酸盐基团附近时，可以促进理想的功能活性。在另一些非氮双膦酸盐的实施例中，提供了苯并双膦酸盐化合物和方法。还提供了进一步的变化。
• Method of controlling deposition in aqueous systems
  申请人：BETZ EUROPE, INC.

  公开号：EP0029076A1

  公开（公告）日：1981-05-27

  The present invention relates to a method of treating a system having an aqueous medium which comprises adding to said medium a sufficient amount of a water soluble. chlorine-resistant phosphonate having the structural formula where R, and R2 each represent a group having the formula CxH2x+1; x is from 1 to 13 inclusive; Y is hydrogen, or mixtures thereof, M is a water soluble cation; and n is 1 or greater. For example, the method of the present invention may be used to (a) control the formation and subsequent deposition of scale-forming salts on the structural parts of the system, (b) disperse particulate matter contained in the aqueous medium and thereby control the settling thereof on the structural parts of the system or (c) disperse pitch contained in the aqueous medium of a pulp or papermaking process.

  本发明涉及一种处理具有水介质的系统的方法，该方法包括向所述介质中加入足量的水溶性抗氯膦酸盐，其结构式为 其中 R 和 R2 分别代表具有式 CxH2x+1 的基团； x 为 1 至 13（包括 13）； Y 为氢、 或其混合物，M 为水溶性阳离子；n 为 1 或更大。 例如，本发明的方法可用于：(a) 控制成垢盐类的形成和随后在系统结构部件上的沉积；(b) 分散水介质中所含的颗粒物质，从而控制其在系统结构部件上的沉降；或 (c) 分散纸浆或造纸工艺的水介质中所含的沥青。
• Bisphosphonates derived from fatty acids are potent growth inhibitors of Trypanosoma cruzi
  作者：Sergio H. Szajnman、Brian N. Bailey、Roberto Docampo、Juan B. Rodriguez

  DOI：10.1016/s0960-894x(01)00057-9

  日期：2001.3

  We have investigated the effect of a series of bisphosphonates derived from fatty acids against Trypanosoma cruzi proliferation in in vitro assays. Some of these drugs proved to be potent inhibitors against the intracellular form of the parasite exhibiting IC50 values at the low micromolar level. As bisphosphonates are FDA clinically approved for treatment of bone resorption, their potential innocuousness makes them good candidates to control tropical diseases. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Schuelke, Ulrich, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 51/52, p. 623 - 626
  作者：Schuelke, Ulrich

  DOI：——

  日期：——