1,1-difluoro-2-hydroxy-propane-1,2,3-tricarboxylic acid | 687622-28-2

• 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: 1,1-difluoro-2-hydroxy-propane-1,2,3-tricarboxylic acid
• 英文别名: 1,1-Difluor-2-hydroxy-propan-1,2,3-tricarbonsaeure；2,2-Difluorocitric acid；1,1-difluoro-2-hydroxypropane-1,2,3-tricarboxylic acid
• CAS: 687622-28-2
• 化学式: C₆H₆F₂O₇
• 分子量: 228.106
• InChiKey: SQDDNXLKKRCUBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,1-difluoro-2-hydroxy-propane-1,2,3-tricarboxylic acid-1,2-diethyl ester 在 sodium hydroxide 作用下， 生成 1,1-difluoro-2-hydroxy-propane-1,2,3-tricarboxylic acid
  参考文献：
  名称：

  alpha, alpha-difluoro-substituted acids of the tricarboxylic acid cycle, their salts, amides and esters

  摘要：

  公开号：

  US02824888A1

文献信息

• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：Munger Josh

  公开号：US20090239830A1

  公开（公告）日：2009-09-24

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了在病毒感染时发生的某些代谢物浓度和通量的改变。选择涉及代谢途径的宿主细胞酶作为干预靶点；即恢复代谢通量以不利于病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径中关键控制点的关键酶更适合作为候选抗病毒药物靶点。使用这些酶的抑制剂来逆转或重定向病毒感染的影响。使用体外筛选分析和宿主细胞以及动物模型测试药物候选物的抗病毒活性。然后使用动物模型测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：MUNGER Josh

  公开号：US20130065850A1

  公开（公告）日：2013-03-14

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了某些代谢物浓度和通量的改变，这些改变是对病毒感染的反应。选择参与代谢途径的宿主细胞酶作为干预的目标，即恢复代谢通量以削弱病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径的关键控制点上的关键酶被优先选择作为候选抗病毒药物靶点。使用这些酶的抑制剂来扭转或重定向病毒感染的影响。通过体外和宿主细胞的筛选试验以及动物模型来测试药物候选物的抗病毒活性。然后使用动物模型来测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• ATP citrate lyase inhibitors for treating cancer
  申请人：The Trustees of The University of Pennsylvania

  公开号：EP2633856A2

  公开（公告）日：2013-09-04

  Methods of treating individuals identified as having cancer using ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of inducing apoptosis in cancer cells using an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating an individual who has cancer comprising the steps of identifying the cancer as having a high rate of aerobic glycolysis, and administering an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating individuals who have cancer using compounds that inhibit the expression of ATP citrate lyase or tricarboxylate transporter are disclosed. Methods of identifying a compound with anticancer activity are disclosed.

  公开了使用 ATP 柠檬酸溶解酶抑制剂和/或三羧酸盐转运体抑制剂治疗被确定为癌症患者的方法。公开了使用 ATP 柠檬酸溶解酶抑制剂和/或三羧酸盐转运体抑制剂诱导癌细胞凋亡的方法。本发明公开了治疗癌症患者的方法，包括以下步骤：将癌症鉴定为有氧糖酵解率高，并施用ATP柠檬酸裂解酶抑制剂和/或三羧酸盐转运体抑制剂。公开了使用抑制 ATP 柠檬酸溶解酶或三羧酸转运体表达的化合物治疗癌症患者的方法。公开了鉴定具有抗癌活性的化合物的方法。
• COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA

  公开号：EP1626711A2

  公开（公告）日：2006-02-22
• Compositions and methods for treating cancer
  申请人：Thompson B. Craig

  公开号：US20070259956A1

  公开（公告）日：2007-11-08

  Methods of treating individuals identified as having cancer using ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of inducing apoptosis in cancer cells using an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating an individual who has cancer comprising the steps of identifying the cancer as having a high rate of aerobic glycolysis, and administering an ATP citrate lyase inhibitor and/or tricarboxylate transporter inhibitor are disclosed. Methods of treating individuals who have cancer using compounds that inhibit the expression of ATP citrate lyase or tricarboxylate transporter are disclosed. Methods of identifying a compound with anticancer activity are disclosed.