3-benzyl-5-trichloromethyl-[1,2,4]oxadiazole | 1823-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-benzyl-5-trichloromethyl-[1,2,4]oxadiazole
• 英文别名: 3-benzyl-5-trichloromethyl[1.2.4]oxadiazole；3-(phenylmethyl)-5-trichloromethyl-1,2,4-oxadiazole；3-benzyl-5-trichloromethyl[1,2,4]oxadiazole；3-benzyl-5-(trichloromethyl)-1,2,4-oxadiazole
• CAS: 1823-00-3
• 化学式: C₁₀H₇Cl₃N₂O
• 分子量: 277.537
• InChiKey: HZYYPAZDJHOJTH-UHFFFAOYSA-N

物化性质

• 沸点：
  341.3±52.0 °C(Predicted)
• 密度：
  1.465±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzyl-5-trichloromethyl-[1,2,4]oxadiazole 在 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 1-(3-benzyl-[1,2,4]oxadiazol-5-yl)-4-(4-methoxy-benzenesulfonyl)piperazine
  参考文献：
  名称：

  [EN] OXADIAZOLE COMPOUNDS
  [FR] COMPOSÉS D'OXADIAZOLE

  摘要：

  本发明涉及式(I)或(II)的化合物或其立体异构体、对映体、消旋体或互变异构体，其中R1、R2、R3、L1、L2、L3、L4、L5和n的含义与权利要求和说明中定义的含义相同。本发明还涉及包含这些化合物的组合物，特别是药物，以及利用这些化合物和组合物预防和/或治疗代谢紊乱和/或神经退行性疾病和/或蛋白质错折性疾病的用途。

  公开号：

  WO2015140130A1
• 作为产物：
  描述：

  苯乙腈 在 盐酸羟胺 、 sodium carbonate 、 三氯乙酸 作用下， 以 乙醇 、 水 为溶剂， 反应 4.33h， 生成 3-benzyl-5-trichloromethyl-[1,2,4]oxadiazole
  参考文献：
  名称：

  [EN] OXADIAZOLE COMPOUNDS
  [FR] COMPOSÉS D'OXADIAZOLE

  摘要：

  本发明涉及式(I)或(II)的化合物或其立体异构体、对映体、消旋体或互变异构体，其中R1、R2、R3、L1、L2、L3、L4、L5和n的含义与权利要求和说明中定义的含义相同。本发明还涉及包含这些化合物的组合物，特别是药物，以及利用这些化合物和组合物预防和/或治疗代谢紊乱和/或神经退行性疾病和/或蛋白质错折性疾病的用途。

  公开号：

  WO2015140130A1

文献信息

• [EN] DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS<br/>[FR] DÉRIVÉS D'OXADIAZOLE ET DE PYRIDAZINE, LEUR PRÉPARATION ET LEUR APPLICATION EN THÉRAPIE
  申请人：SANOFI SA

  公开号：WO2012011081A1

  公开（公告）日：2012-01-26

  The invention relates to compounds of formula (I): in which: n is equal to 0 or 1; D represents an oxygen atom or a bond; W represents a nitrogen atom or a -CH- group; X1 represents a nitrogen atom or a -CH=CH- group; X2 represents an oxygen atom or a nitrogen atom; X3 represents an oxygen atom or a nitrogen atom; one of X1, X2, X3 being other than a nitrogen atom, X2 and X3 not being an oxygen atom at the same time; R1, R2 are absent or represent, (i) independently of one another, a hydrogen atom or a (C1 -C4)alkyl group, (ii) R1 and R2 may form, with the carbon atom to which they are attached, a -(C3-C10)cycloalkyl- group; Y represents a -(C3-C10)cycloalkyl-, aryl or aryloxy group, said groups being optionally substituted with one or more substituents chosen from a halogen atom or a (C1 -C6)alkoxy group; Z1 is absent or represents an -NH- function; Z2 and Z3 are as defined in the description. The invention also relates to a process for preparing compounds of formula (I), compositions containing them and their application in therapeutics.

  本发明涉及公式（I）的化合物：其中：n等于0或1；D代表氧原子或键；W代表氮原子或-CH-基团；X1代表氮原子或-CH=CH-基团；X2代表氧原子或氮原子；X3代表氧原子或氮原子；其中X1、X2、X3中的一个不是氮原子，X2和X3不同时是氧原子；R1、R2不存在或代表（i）彼此独立的氢原子或（C1-C4）烷基；（ii）R1和R2可能与它们附着的碳原子形成-(C3-C10)环烷基-基团；Y代表-（C3-C10）环烷基、芳基或芳氧基团，所述基团可选地用一个或多个卤原子或（C1-C6）烷氧基取代；Z1不存在或代表-NH-功能；Z2和Z3如本说明书所定义。本发明还涉及制备公式（I）化合物的方法，包含它们的组合物以及在治疗学中的应用。
• DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS
  申请人：Sanofi

  公开号：US20130137691A1

  公开（公告）日：2013-05-30

  The invention relates to compounds of formula (I): in which: n is equal to 0 or 1; D represents an oxygen atom or a bond; W represents a nitrogen atom or a —CH— group; X1 represents a nitrogen atom or a —CH═CH— group; X2 represents an oxygen atom or a nitrogen atom; X3 represents an oxygen atom or a nitrogen atom; one of X1, X2, X3 being other than a nitrogen atom, X2 and X3 not being an oxygen atom at the same time; R1, R2 are absent or represent, (i) independently of one another, a hydrogen atom or a (C1-C4)alkyl group, (ii) R1 and R2 may form, with the carbon atom to which they are attached, a —(C3-C10)cycloalkyl- group; Y represents a —(C3-C10)cycloalkyl-, aryl or aryloxy group, said groups being optionally substituted with one or more substituents chosen from a halogen atom or a (C1-C6)alkoxy group; Z1 is absent or represents an —NH— function; Z2 and Z3 are as defined in the description. The invention also relates to a process for preparing compounds of formula (I), compositions containing them and their application in therapeutics.

  本发明涉及公式（I）的化合物： 其中： n等于0或1； D代表氧原子或键； W代表氮原子或—CH—基团； X1代表氮原子或—CH═CH—基团； X2代表氧原子或氮原子； X3代表氧原子或氮原子； X1、X2、X3中的一个不是氮原子，X2和X3同时不是氧原子； R1，R2不存在或代表（i）彼此独立的氢原子或（C1-C4）烷基，（ii）R1和R2可以与它们附着的碳原子形成—（C3-C10）环烷基-基团； Y代表—（C3-C10）环烷基-、芳基或芳氧基团，这些基团可以选择性地被一个或多个卤素原子或（C1-C6）烷氧基置换； Z1不存在或代表—NH—功能； Z2和Z3如本说明中所定义。 本发明还涉及制备公式（I）的化合物的方法、含有它们的组合物以及它们在治疗学中的应用。
• 1,2,4-Oxadiazolonylacetyl penicillins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03959259A1

  公开（公告）日：1976-05-25

  1,2,4-Oxadiazolonylacetyl penicillins and cephalosporins of the general formula ##SPC1## Wherein A is either ##SPC2## R.sub.1 is hydrogen, lower alkyl or phenyl-lower alkyl; R.sub.2 is hydrogen, lower alkyl, phenyl, hydroxyphenyl, thienyl, furyl, or pyridyl; R.sub.3 is hydrogen, lower alkyl, phenyl-lower alkyl, a salt forming ion, trimethylsilyl, benzhydryl, or ##EQU1## R.sub.4 is lower alkyl, phenyl or phenyl-lower alkyl; and X is hydrogen, lower alkoxy, lower alkanoyloxy, lower alkylmercapto, the radical of a nitrogen base, or certain heterocyclic thio moieties; are disclosed. They are useful as antibacterial agents.

  公式为##SPC1##的1,2,4-噁二唑酮基乙酰青霉素和头孢菌素，其中A为##SPC2##，R.sub.1为氢，低碳基或苯基-低碳基；R.sub.2为氢，低碳基，苯基，羟基苯基，噻吩基，呋喃基或吡啶基；R.sub.3为氢，低碳基，苯基-低碳基，盐形成离子，三甲基硅基，苯甲基或##EQU1##；R.sub.4为低碳基，苯基或苯基-低碳基；X为氢，低烷氧基，低烷酰氧基，低烷基硫基，氮碱基的基团或某些杂环硫基团。它们用作抗菌剂。
• Amino-1,2,4-oxadiazolyl-3-acetyl cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03960849A1

  公开（公告）日：1976-06-01

  Amino-1,2,4-oxadiazolyl-3-acetyl penicillins and cephalosporins of the general formula ##SPC1## Wherein A is either ##SPC2## R.sub.1 and R.sub.2 are independently selected from hydrogen and lower alkyl or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a heterocyclic ring; R.sub.3 is hydrogen, lower alkyl, phenyl, hydroxyphenyl, thienyl, furyl, or pyridyl; R.sub.4 is hydrogen, lower alkyl, phenyl-lower alkyl, benzhydryl, a salt forming ion, trimethylsilyl, or ##EQU1## R.sub.5 is lower alkyl, phenyl or phenyl-lower alkyl; X is hydrogen, lower alkoxy, lower alkanoyloxy, lower alkylmercapto, the radical of a nitrogen base; or certain heterocyclic thio moieties; are disclosed. They are useful as antibacterial agents.

  本发明涉及一般式为##SPC1##的氨基-1,2,4-噻二唑基-3-乙酰基青霉素和头孢菌素，其中A为##SPC2##，R.sub.1和R.sub.2分别选自氢和较低的烷基，或者R.sub.1和R.sub.2与它们连接的氮原子形成杂环环；R.sub.3为氢、较低的烷基、苯基、羟基苯基、噻吩基、呋喃基或吡啶基；R.sub.4为氢、较低的烷基、苯基-较低的烷基、苯甲基、成盐离子、三甲基硅基或##EQU1##；R.sub.5为较低的烷基、苯基或苯基-较低的烷基；X为氢、较低的烷氧基、较低的烷酰氧基、较低的烷基硫醇基、氮碱基的基团；或某些杂环硫基团。它们可用作抗菌剂。
• XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS
  申请人：Hatley Richard Jonathan Daniel

  公开号：US20100179128A1

  公开（公告）日：2010-07-15

  The present invention relates to compounds of formula (I) which are xanthine derivatives, processes for the manufacture of said derivatives, pharmaceutical formulations containing these active compounds and the use of the compounds in therapy, for example, in the treatment of diseases where under-activation of the HM74A receptor contributes to the disease or where activation of the receptor will be beneficial

  本发明涉及式(I)的化合物，它们是黄嘌呤衍生物，制造这些衍生物的方法，含有这些活性化合物的制药配方，以及在治疗中使用这些化合物，例如，用于治疗HM74A受体欠活化导致疾病或激活该受体将有益的疾病。