1-(fluoro-n-hexylidene)-1,1-bisphosphonic acid | 1357470-74-6

• 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-(fluoro-n-hexylidene)-1,1-bisphosphonic acid
• 英文别名: (1-Fluoro-1-phosphonohexyl)phosphonic acid
• CAS: 1357470-74-6
• 化学式: C₆H₁₅FO₆P₂
• 分子量: 264.127
• InChiKey: YOJCYEIJVWBSPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tetraethyl n-hexylidene-1,1-bisphosphonate 在 三甲基溴硅烷 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 mineral oil 为溶剂， 反应 53.25h， 生成 1-(fluoro-n-hexylidene)-1,1-bisphosphonic acid
  参考文献：
  名称：

  1-(Fluoroalkylidene)-1,1-bisphosphonic acids are potent and selective inhibitors of the enzymatic activity of Toxoplasma gondii farnesyl pyrophosphate synthase

  摘要：

  研究人员设计、合成了源自脂肪酸的α-氟化-1,1-二膦酸，并针对南美锥虫病病原体克鲁氏锥虫和弓形虫（弓形虫是弓形虫病的病原体）以及克鲁氏锥虫（TcFPPS）和弓形虫（TgFPPS）的目标寄生酶焦磷酸法尼基合成酶进行了生物评估。有趣的是，1-氟壬亚基-1,1-二膦酸（化合物 43）在低纳摩尔范围内对 TgFPPS 的酶活性具有极强的抑制作用，IC50 为 30 nM。与作为阳性对照的利塞膦酸（IC50 = 74 nM）相比，该化合物的效力高出两倍。这种酶活性对淋病双球菌的细胞生长有很强的抑制作用，IC50 值为 2.7 μM。

  DOI：

  10.1039/c1ob06602a

文献信息

• FLAME RETARDANT FOR WOODY MATERIALS AND FLAME-RETARDANT WOODY MATERIAL
  申请人：Daihachi Chemical Industry Co., Ltd.

  公开号：EP3633012A1

  公开（公告）日：2020-04-08

  An object of the present invention is to provide a flame-retardant woody material having low hygroscopicity and excellent flame-retardant performance, and a flame retardant for woody materials therefor. The present invention relates to a flame retardant for woody materials comprising an organic phosphorus compound represented by the following formula (1) and a nitrogen compound represented by the following formula (2); and also relates to a flame-retardant woody material comprising a woody material fireproofed with the flame retardant for woody materials: wherein in the formula (1), R1 and R2 are the same or different, and each represents a hydrogen atom, hydroxy, or the like; n is an integer of 1 to 4; X1 and X2 are the same or different, and each represents a hydrogen atom, hydroxy, or the like; and wherein in the formula (2), R3, R4, R5, R6, and R7 are the same or different, and each represents a hydrogen atom, methyl, or the like.

  本发明的目的是提供一种具有低吸湿性和优异阻燃性能的阻燃木质材料及其阻燃剂。本发明涉及一种木质材料用阻燃剂，它由下式（1）代表的有机磷化合物和下式（2）代表的氮化合物组成；还涉及一种阻燃木质材料，它包括用该木质材料用阻燃剂防火的木质材料： 式（1）中，R1 和 R2 相同或不同，各自代表氢原子、羟基或类似物；n 是 1 至 4 的整数；X1 和 X2 相同或不同，各自代表氢原子、羟基或类似物；以及 式（2）中，R3、R4、R5、R6 和 R7 相同或不同，各自代表氢原子、甲基或类似物。
• 1-(Fluoroalkylidene)-1,1-bisphosphonic acids are potent and selective inhibitors of the enzymatic activity of Toxoplasma gondii farnesyl pyrophosphate synthase
  作者：Sergio H. Szajnman、Valeria S. Rosso、Leena Malayil、Alyssa Smith、Silvia N. J. Moreno、Roberto Docampo、Juan B. Rodriguez

  DOI：10.1039/c1ob06602a

  日期：——

  α-Fluorinated-1,1-bisphosphonic acids derived from fatty acids were designed, synthesized and biologically evaluated against Trypanosoma cruzi, the etiologic agent of Chagas disease, and against Toxoplasma gondii, the agent responsible for toxoplasmosis, and also towards the target parasitic enzymes farnesyl pyrophosphate synthase of T. cruzi (TcFPPS) and T. gondii (TgFPPS). Interestingly, 1-fluorononylidene-1,1-bisphosphonic acid (compound 43) proved to be an extremely potent inhibitor of the enzymatic activity of TgFPPS at the low nanomolar range, exhibiting an IC50 of 30 nM. This compound was two-fold more potent than risedronate (IC50 = 74 nM) that was taken as a positive control. This enzymatic activity was associated with a strong cell growth inhibition against tachyzoites of T. gondii, with an IC50 value of 2.7 μM.

  研究人员设计、合成了源自脂肪酸的α-氟化-1,1-二膦酸，并针对南美锥虫病病原体克鲁氏锥虫和弓形虫（弓形虫是弓形虫病的病原体）以及克鲁氏锥虫（TcFPPS）和弓形虫（TgFPPS）的目标寄生酶焦磷酸法尼基合成酶进行了生物评估。有趣的是，1-氟壬亚基-1,1-二膦酸（化合物 43）在低纳摩尔范围内对 TgFPPS 的酶活性具有极强的抑制作用，IC50 为 30 nM。与作为阳性对照的利塞膦酸（IC50 = 74 nM）相比，该化合物的效力高出两倍。这种酶活性对淋病双球菌的细胞生长有很强的抑制作用，IC50 值为 2.7 μM。