E,Z-3-trifluoromethylpent-2-enoic acid ethyl ester | 558452-22-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: E,Z-3-trifluoromethylpent-2-enoic acid ethyl ester
• 英文别名: ethyl 3-(trifluoromethyl)pent-2-enoate；ethyl 3-trifluoromethyl-2-pentenoate；Ethyl 3-trifluoromethyl-2-pentenoate
• CAS: 558452-22-5
• 化学式: C₈H₁₁F₃O₂
• 分子量: 196.169
• InChiKey: CQJZLAJDJHFQIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  E,Z-3-trifluoromethylpent-2-enoic acid ethyl ester 在 platinum(IV) oxide sodium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、68.95 kPa 条件下， 反应 36.0h， 生成 3-(三氟甲基)戊酸
  参考文献：
  名称：

  三氟异亮氨酸在体内掺入蛋白质

  摘要：

  异亮氨酸的两种氟化衍生物：d,l-2-amino-3-trifluoromethyl pentanoic acid (3TFI, 2) 和 d,l-2-amino-5,5,5-trifluoro-3-methylpentanoic acid (5TFI, 3 ) 准备好了。5TFI 被纳入模型靶蛋白，鼠二氢叶酸还原酶 (mDHFR)，在异亮氨酸营养缺陷型大肠杆菌宿主菌株中，悬浮在缺乏异亮氨酸的 5TFI 补充的基本培养基中。通过蛋白质产物的胰蛋白酶肽分析和基质辅助激光解吸电离质谱 (MALDI-MS) 证实了 5TFI 的掺入。氨基酸分析表明，超过 93% 的编码异亮氨酸残基被 5TFI 取代。大肠杆菌异亮氨酰-tRNA 合成酶 (IleRS) 对 5TFI 的活化率的测量产生了比异亮氨酸低 134 倍的特异性常数 (k(cat)/K(m))。5TFI 在编码的异亮氨酸位置成功引入细胞因子鼠白细胞介素

  DOI：

  10.1021/ja0298287
• 作为产物：
  描述：

  1,1,1-三氟-2-丁酮 、 乙氧甲酰基亚甲基三苯基膦 以 二氯甲烷 为溶剂， 反应 0.25h， 生成 E,Z-3-trifluoromethylpent-2-enoic acid ethyl ester
  参考文献：
  名称：

  [EN] SERINE/THREONINE KINASE INHIBITORS
  [FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASES

  摘要：

  提供具有公式I的化合物或其立体异构体、互变异构体或药用可接受盐，这些化合物用于治疗疾病。公开了使用公式I的化合物或其立体异构体、互变异构体或药用可接受盐，用于体外、原位和体内诊断、预防或治疗此类疾病或相关病理状况的方法。

  公开号：

  WO2015103137A1

文献信息

• [EN] SERINE/THREONINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASES
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2015103137A1

  公开（公告）日：2015-07-09

  Compounds of Formula I or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof are provided, which are useful for the treatment of diseases. Methods of using compounds of Formula I or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such diseases, or associated pathological conditions are disclosed.

  提供具有公式I的化合物或其立体异构体、互变异构体或药用可接受盐，这些化合物用于治疗疾病。公开了使用公式I的化合物或其立体异构体、互变异构体或药用可接受盐，用于体外、原位和体内诊断、预防或治疗此类疾病或相关病理状况的方法。
• [EN] 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS<br/>[FR] DÉRIVÉS DE 1-HÉTÉROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE ET LEURS UTILISATIONS À TITRE DE MODULATEURS DE PDE9A
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009121919A1

  公开（公告）日：2009-10-08

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with Hc is a mono-, bi- or tricyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of -S(O)r - with r being 0, 1 or 2, and - said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and - said heterocyclyl group is bound to the scaffold by said 1 non- aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  该发明涉及新型1,6-二取代吡唑吡嘧啶酮，化学式（I），其中Hc是一个单环、双环或三环杂环基团，其环成员为碳原子和至少1个，优选1个、2个或3个来自氮、氧和硫的杂原子，其以-S(O)r-的形式存在，其中r为0、1或2，所述杂环基团是或包括1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，所述杂环基团通过所述至少包含1个杂原子作为环成员的非芳香、饱和或部分不饱和的单环环与支架相结合。根据该发明的一个方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷相关疾病的药物。新化合物还用于制造治疗阿尔茨海默病的药物。
• COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS
  申请人：Fuchs Klaus

  公开号：US20120115863A1

  公开（公告）日：2012-05-10

  The invention relates to novel cycloalkyl- or cycloalkenyl-substituted pyrazolopyrimidinones of formula (I), wherein Ā is selected from the group A 1 consisting of a C 3 -C 8 -cycloalkyl group or a C 4 -C 8 -cycloalkenyl group, whereby the members of C 3 -C 8 -cycloalkyl group being selected from the group of cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cycloheptanyl and cyclooctanyl; and the members of the C 4 -C 8 -cycloalkenyl group, being selected from cyclobutenyl, cyclopentenyl, cyclohexenyl, cycloheptenyl, cyclooctenyl, cyclopentadienyl, cyclohexadienyl, cycloheptadienyl, cyclooctadienyl, cycloheptatrienyl, cyclooctathenyl, cyclooctatetraenyl. The new compounds shall be used for the manufacture of medicaments, in particular medicaments for improving perception, concentration, learning and/or memory in patients in need thereof. Chemically, the compounds are characterised as pyrazolopyrimidinones with a cycloalkyl-moiety directly bound to the 1 position of the pyrazolopyrimidinone and a second substituent in the 6 position which is bound via an optionally substituted methylene-bridge. Further aspects of the present invention refer to a process for the manufacture of the compounds and their use for producing medicaments.

  该发明涉及具有以下结构的新型环烷基或环烯基取代的吡唑吡咪啉酮化合物（I），其中Ā选自A1组中的C3-C8环烷基或C4-C8环烯基，其中C3-C8环烷基组成员选自环丙基、环丁基、环戊基、环己基、环庚基和环辛基；而C4-C8环烯基组成员选自环丁烯基、环戊烯基、环己烯基、环庚烯基、环辛烯基、环戊二烯基、环己二烯基、环庚二烯基、环辛二烯基、环庚三烯基、环辛烷基、环辛四烯基。这些新化合物可用于制造药物，特别是用于改善患者感知、注意力、学习和/或记忆的药物。从化学上讲，这些化合物被描述为在吡唑吡咪啉酮的1位上直接连接有环烷基基团，并且在6位上通过一个可选取代的亚甲基桥连接有第二取代基。该发明的进一步方面涉及一种制造这些化合物的方法以及它们用于生产药物的用途。
• ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD
  申请人：Miyazaki Hiroyuki

  公开号：US20100160430A1

  公开（公告）日：2010-06-24

  There is provided an organic sulfur compound having an excellent controlling effect on harmful arthropods represented by the formula (I): wherein, R 1 represents a C1-C5 haloalkyl group having at least one fluorine atom, R 2 represents a C1-C4 alkyl group optionally substituted with at least one halogen atom or the like, R 3 represents a hydrogen atom or the like, R 4 represents a cyano group or the like, R 5 represents a hydrogen atom or the like, m represents an integer of 1 to 4, and n represents 0, 1 or 2.

  提供了一种有机硫化合物，对由式(I)表示的有害节肢动物具有优异的控制效果：其中，R1表示至少有一个氟原子的C1-C5卤代烷基，R2表示可选地取代至少一个卤原子或类似物的C1-C4烷基，R3表示氢原子或类似物，R4表示氰基或类似物，R5表示氢原子或类似物，m表示1至4的整数，n表示0、1或2。
• Organic sulfur compound and its use for controlling harmful arthropod
  申请人：Sumitomo Chemical Company, Limited

  公开号：US08247595B2

  公开（公告）日：2012-08-21

  There is provided an organic sulfur compound having an excellent controlling effect on harmful arthropods represented by the formula (I): wherein, R1 represents a C3-C10 alkenyl group optionally substituted with at least one halogen atom, a C3-C10 alkynyl group optionally substituted with at least one halogen atom, or the like, R2 represents a cyano group or the like, R3 represents a hydrogen atom, a halogen atom or a C1-C4 alkyl group, R4 represents a C1-C5 fluoroalkyl group, and n represents 0, 1 or 2.

  提供一种具有出色的控制害虫效果的有机硫化合物，其化学式表示为(I)：其中，R1表示C3-C10烯基，可选地被至少一个卤素原子取代，C3-C10炔基，可选地被至少一个卤素原子取代，或类似基团；R2表示氰基或类似基团；R3表示氢原子，卤素原子或C1-C4烷基；R4表示C1-C5氟烷基；n表示0、1或2。