乙莫克舍 | 82258-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 乙莫克舍
• 中文别名: 2-(6-(4-氯苯)己基)环氧乙烷羧酸乙酯；败脂酸,乙基丙-2-烯酸酯,甲基丙-2-烯酸酯；2 - (6 - (4 - 氯苯)己基)环氧乙烷羧酸乙酯
• 英文名称: 2-(6-(4-chlorophenoxy)-hexyl)-oxirane-2-carboxylic acid ethyl ester
• 英文别名: oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester-；ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate；etomoxir；2-[6-(4-Chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester；2-[6-(4-chlorophenoxy)-hexyl]-oxiran-2-carboxylic acid-ethyl-ester；Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate
• CAS: 82258-36-4
• 化学式: C₁₇H₂₃ClO₄
• mdl: MFCD00867408
• 分子量: 326.82
• InChiKey: DZLOHEOHWICNIL-UHFFFAOYSA-N

物化性质

• 沸点：
  190-200 °C(Press: 0.15-0.2 Torr)
• 密度：
  1.163±0.06 g/cm3(Predicted)
• 溶解度：
  乙腈（微溶）、氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.588
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙莫克舍 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 15.0h， 以88%的产率得到etomoxir
  参考文献：
  名称：

  Targeting cancer cells in acidosis with conjugates between the carnitine palmitoyltransferase 1 inhibitor etomoxir and pH (low) insertion peptides

  摘要：

  DOI：

  10.1016/j.ijpharm.2022.122041
• 作为产物：
  描述：

  乙基8-(4-氯苯氧基)-2-亚甲基-辛酸酯 在 间氯过氧苯甲酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 48.0h， 以50%的产率得到乙莫克舍
  参考文献：
  名称：

  The Baylis–Hillman chemistry in aqueous media: a convenient synthesis of 2-methylenealkanoates and alkanenitriles

  摘要：

  A convenient, general and efficient synthesis of 2-methylenealkanoates and alkanenitriles is accomplished via the regioselective nucleophilic (S(N)2') addition of hydride ion from NaBH4 to (2Z)-2-(bromomethyl)alk-2-enoates and 2-(bromomethyl)alk-2-enenitriles respectively in the presence of DABCO in environment friendly aqueous media. Synthesis of two hypoglycemic agents is also described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01967-5

文献信息

• [EN] COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE<br/>[FR] COMPOSES, COMPOSITIONS ET PROCEDES DE TRAITEMENT DE MALADIES AMYLOIDES ET DE SYNUCLEINOPATHIES, NOTAMMENT DE LA MALADIE D'ALZHEIMER, DU DIABETE DE TYPE 2 ET DE LA MALADIE DE PARKINSON
  申请人：PROTEOTECH INC

  公开号：WO2003101927A1

  公开（公告）日：2003-12-11

  Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs and pharmaceutically acceptable esters, their synthesis, pharmaceutical compositions containing them, and their use in the treatment of amyloid diseases, especially Aß amyloidosis, such as observed in Alzheimer's disease, IAPP amyloidosis, such as observed in type 2 diabetes, and synucleinophathies, such as observed in Parkinson's disease, and the manufacture of medicaments for such treatment.

  双-和三-二羟基芳基化合物及其亚甲二氧基类似物和药用可接受酯，它们的合成，含有它们的药物组合物，以及它们在治疗淀粉样疾病，特别是Aß淀粉样病变，如阿尔茨海默病中观察到的，IAPP淀粉样病变，如2型糖尿病中观察到的，以及α-突触核病，如帕金森病中观察到的，以及用于制造用于此类治疗的药物。
• Fluorooxirane carboxylates
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0283168A2

  公开（公告）日：1988-09-21

  There are disclosed compounds of the formula wherein R¹ and R² are each, independently, hydrogen, hydroxy, lower alkyl, lower alkoxy, haloloweralkyl, haloloweralkyl sulfonyl, halo or nitro;     R³ is hydrogen, lower alkyl, or aryl or 7-12 carbon atoms;     A is -CH₂-, -O- or -S-;     m is 1 - 8;     n is 0 - 7, with the proviso that m + n ≦ 8; or a pharmacologically acceptable salt thereof, and their use as fatty acid oxidation inhibitors possessing a significantly reduced potential for impairment of normal cardiac function, and having particular utility in the treatment of glucose and fatty acid metabolism disorders, such as diabetes.

  公开了式中 R¹ 和 R² 各自独立地为氢、羟基、低级烷基、低级烷氧基、卤代低级烷基、卤代低级烷基磺酰基、卤代或硝基的化合物；R³ 为氢、低级烷基或芳基或 7-12 个碳原子；A 为 -CH₂-、-O- 或 -S-；m 为 1 - 8；n 为 0 - 7，但条件是 m + n ≦ 8；或其药理学上可接受的盐，以及它们作为脂肪酸氧化抑制剂的用途，这种抑制剂具有显著降低正常心脏功能受损的可能性，并在治疗葡萄糖和脂肪酸代谢紊乱（如糖尿病）方面具有特殊用途。
• REMEDIES FOR KIDNEY DISEASES AND METHOD FOR SCREENING THE SAME
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1180686A1

  公开（公告）日：2002-02-20

  The present invention provides a method for screening or identifying therapeutic or prophylactic agents for renal diseases, which comprises assaying a test substance for the activity of up-regulating the expression of fatty acid-binding protein (FABP), and novel mouse proximal renal tubular epithelial cell lines useful therein. The present invention also provides therapeutic or prophylactic agents for renal diseases comprising, as an active ingredient, an agent having activity of up-regulating FABP expression; agents for up-regulating the expression of FABP, and for treating or preventing renal diseases, which comprise a compound having activity of peroxisome proliferator-activated receptor (PPAR) agonist or carnitine palmitoyltransferase (CPT) inhibitor or the like.

  本发明提供了一种筛选或鉴定治疗或预防肾脏疾病药物的方法，该方法包括检测试验物质上调脂肪酸结合蛋白（FABP）表达的活性，以及对其有用的新型小鼠近端肾小管上皮细胞系。本发明还提供了治疗或预防肾脏疾病的制剂，其活性成分包括具有上调脂肪酸结合蛋白表达活性的制剂；上调脂肪酸结合蛋白表达和治疗或预防肾脏疾病的制剂，其活性成分包括具有过氧化物酶体增殖激活受体（PPAR）激动剂或肉碱棕榈酰基转移酶（CPT）抑制剂或类似物活性的化合物。
• Fatty acid metabolism inhibitors for use in the treatment of cancer
  申请人：The Board of Regents of the University of Colorado

  公开号：EP2377528A2

  公开（公告）日：2011-10-19

  A composition for treating inflammatory and proliferative diseases, and wounds, using as a pharmacon a fatty acid metabolism inhibitor, optionally in combination with one or more chemotherpeutic agents. The composition can be used to treat drug-resistant or multi-drug resistant cancers.

  一种用于治疗炎症和增生性疾病以及伤口的组合物，以脂肪酸代谢抑制剂为药剂，可选择与一种或多种化疗药物结合使用。该组合物可用于治疗耐药性或多重耐药性癌症。
• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：THE TRUSTEES OF PRINCETON UNIVERSITY

  公开号：EP2581081A2

  公开（公告）日：2013-04-17

  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.

  描述了病毒感染时某些代谢物浓度和通量的变化。所涉及的代谢途径中的宿主细胞酶被选为干预目标；即恢复代谢通量以不利于病毒复制，或进一步改变代谢通量导致病毒感染细胞（而非未感染细胞）"自杀 "以限制病毒传播。虽然可以选择相关代谢途径中的任何一种酶，但这些代谢途径关键控制点上的关键酶更适合作为候选的抗病毒药物靶点。这些酶的抑制剂可用于逆转或重定向病毒感染的影响。候选药物通过体外和宿主细胞以及动物模型中的筛选试验进行抗病毒活性测试；然后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疗效。展示酶抑制剂的抗病毒活性。