5-乙炔基-2-(三氟甲基)吡啶 | 1196155-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-乙炔基-2-(三氟甲基)吡啶
• 英文名称: 5-ethynyl-2-(trifluoromethyl)pyridine
• CAS: 1196155-24-4
• 化学式: C₈H₄F₃N
• 分子量: 171.122
• InChiKey: JNCVSVJEAZBSAC-UHFFFAOYSA-N

物化性质

• 沸点：
  164.9±40.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  5-乙炔基-2-(三氟甲基)吡啶 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 异丙醇 、 (S)-4,12-二(二苯基膦)溴[2.2]对环芳 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.0h， 生成 3-(3-(6-(trifluoromethyl)pyridin-3-yl)but-3-en-2-yl)oxetan-3-ol
  参考文献：
  名称：

  2-丙醇介导的对映选择性铱催化二烯与氧杂环丁酮和 N-酰基氮杂环丁酮的还原偶联

  摘要：

  环金属化铱-PhanePhos 配合物催化 2-丙醇介导的 2-取代二烯与氧杂环丁酮和 N-酰基氮杂环丁酮的还原偶联，形成支链同烯丙基氧杂环丁醇和氮杂环丁醇，具有出色的区域选择性和对映选择性控制，且无需拉紧环的 C−C 裂解。这项工作代表了对称酮对映选择性加成的首次系统研究。

  DOI：

  10.1002/anie.202115959

文献信息

• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2022094244A1

  公开（公告）日：2022-05-05

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (I SR) and for treating related diseases, disorders, and conditions.

  本文提供了一些化合物、组合物和方法，用于调节综合应激反应（ISR）和治疗相关疾病、疾患和病况。
• Series of Alkynyl-Substituted Thienopyrimidines as Inhibitors of Protozoan Parasite Proliferation
  作者：Jennifer L. Woodring、Ranjan Behera、Amrita Sharma、Justin Wiedeman、Gautam Patel、Baljinder Singh、Paul Guyett、Emanuele Amata、Jessey Erath、Norma Roncal、Erica Penn、Susan E. Leed、Ana Rodriguez、Richard J. Sciotti、Kojo Mensa-Wilmot、Michael P. Pollastri

  DOI：10.1021/acsmedchemlett.8b00245

  日期：2018.10.11

  Discovery of new chemotherapeutic lead agents can be accelerated by optimizing chemotypes proven to be effective in other diseases to act against parasites. One such medicinal chemistry campaign has focused on optimizing the anilinoquinazoline drug lapatinib (1) and the alkynyl thieno[3,2-d]pyrimidine hit GW837016X (NEU-391, 3) into leads for antitrypanosome drugs. We now report the structure activity relationship studies of 3 and its analogs against Trypanosoma brucei, which causes human African trypanosomiasis (HAT). The series was also tested against Trypanosoma cruzi, Leishmania major, and Plasmodium falciparum. In each case, potent antiparasitic hits with acceptable toxicity margins over mammalian HepG2 and NIH3T3 cell lines were identified. In a mouse model of HAT, 3 extended life of treated mice by 50%, compared to untreated controls. At the cellular level, 3 inhibited mitosis and cytokinesis in T. brucei. Thus, the alkynylthieno[3,2-d]pyrimidine chemotype is an advanced hit worthy of further optimization as a potential chemotherapeutic agent for HAT.
• Structure-activity relationships of 2-pyrimidinecarbohydrazides as utrophin modulators for the potential treatment of Duchenne muscular dystrophy
  作者：Maria Chatzopoulou、Daniel Conole、Enrico Emer、Jessica A. Rowley、Nicky J. Willis、Sarah E. Squire、Becky Gill、Steve Brough、Francis X. Wilson、Graham M. Wynne、Stephen G. Davies、Kay E. Davies、Angela J. Russell

  DOI：10.1016/j.bmc.2022.116812

  日期：2022.9
• SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY
  申请人：Calico Life Sciences LLC

  公开号：EP3962906A1

  公开（公告）日：2022-03-09
• MODULATORS OF THE INTEGRATED STRESS PATHWAY
  申请人：Calico Life Sciences LLC

  公开号：US20200347043A1

  公开（公告）日：2020-11-05

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions.