2-氯-4-(2,2,2-三氟乙氧基)-吡啶 | 885277-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-4-(2,2,2-三氟乙氧基)-吡啶
• 中文别名: 2-氯-4-(2,2,2-三氟乙氧基)吡啶；2-氯-4-(三氟甲基氧基)吡啶
• 英文名称: 2-chloro-4-(2,2,2-trifluoroethoxy)pyridine
• CAS: 885277-01-0
• 化学式: C₇H₅ClF₃NO
• 分子量: 211.571
• InChiKey: AEIHRRMIARXQBG-UHFFFAOYSA-N

物化性质

• 沸点：
  213.6±40.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2-氯-4-(2,2,2-三氟乙氧基)-吡啶 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 2-(4-(2,2,2-trifluoroethoxy)pyridin-2-yl)acetic acid
  参考文献：
  名称：

  Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties

  摘要：

  Inhibition of glutaminase-1 (GLS-1) hampers the proliferation of tumor cells reliant on glutamine. Known glutaminase inhibitors have potential limitations, and in vivo exposures are potentially limited due to poor physicochemical properties. We initiated a GLS-1 inhibitor discovery program focused on optimizing physicochemical and pharmacokinetic properties, and have developed a new selective inhibitor, compound 27 (IPN60090), which is currently in phase 1 clinical trials. Compound 27 attains high oral exposures in preclinical species, with strong in vivo target engagement, and should robustly inhibit glutaminase in humans.

  DOI：

  10.1021/acs.jmedchem.0c01398
• 作为产物：
  描述：

  2-氯-4-硝基吡啶 、 2,2,2-三氟乙醇 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以91%的产率得到2-氯-4-(2,2,2-三氟乙氧基)-吡啶
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY
  [FR] COMPOSÉS POUR LE TRAITEMENT D'UNE AMYOTROPHIE SPINALE

  摘要：

  公开号：

  WO2014209841A3

文献信息

• [EN] HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS<br/>[FR] DÉRIVÉS HÉTÉROCYLCIQUES UTILISÉS EN TANT QUE BLOQUEURS NAV1.7 ET NAV1.8
  申请人：RAQUALIA PHARMA INC

  公开号：WO2020138271A1

  公开（公告）日：2020-07-02

  The present invention relates to heterocyclic derivatives which have blocking activities of voltage gated sodium channels as the Nav1.7 and Nav1.8 channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及具有阻断活性的杂环衍生物，其作用于Nav1.7和Nav1.8通道的电压门控钠通道，并且在处理或预防涉及电压门控钠通道的疾病和疾病方面具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病方面的用途。
• USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3950059A1

  公开（公告）日：2022-02-09

  A medicament for treating or preventing pruritus is provided. For the medicament for treating or preventing pruritus, a compound having a blocking action on Cav3.2T-type calcium channels represented by General Formulas (I) to (VI), a tautomer of the compound, a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof is used as an active ingredient.

  提供一种用于治疗或预防瘙痒的药物。用于治疗或预防瘙痒的药物中，使用具有对Cav3.2T型钙通道具有阻断作用的化合物，该化合物以一般式(I)至(VI)表示，该化合物的互变异构体、立体异构体、其药用可接受的盐或其溶剂为活性成分。
• GLS1 INHIBITORS FOR TREATING DISEASE
  申请人：Board of Regents, The University of Texas System

  公开号：US20160009704A1

  公开（公告）日：2016-01-14

  Disclosed herein are compounds and compositions useful in the treatment of GLS1 mediated diseases, such as cancer, having the structure of Formula I: Methods of inhibition GLS1 activity in a human or animal subject are also provided.

  本文揭示了一些化合物和组合物，其结构公式为I，可用于治疗GLS1介导的疾病，如癌症。还提供了抑制人类或动物主体中GLS1活性的方法。
• COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20160145270A1

  公开（公告）日：2016-05-26

  The present invention provides compounds of formula (I) wherein A, B, X, Y, R1 and R2 are as described herein, as well as pharmaceutically acceptable salts thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments.

  本发明提供了式（I）化合物，其中A、B、X、Y、R1和R2如本文所述，以及其药学上可接受的盐。此外，本发明涉及制备式（I）化合物，包括它们的药物组合物以及它们作为药物的用途。
• Discovery of CH7057288 as an Orally Bioavailable, Selective, and Potent pan-TRK Inhibitor
  作者：Toshiya Ito、Kazutomo Kinoshita、Masaki Tomizawa、Shojiro Shinohara、Hiroki Nishii、Masayuki Matsushita、Kazuo Hattori、Yasunori Kohchi、Masami Kohchi、Tadakatsu Hayase、Fumio Watanabe、Kiyoshi Hasegawa、Hiroshi Tanaka、Shino Kuramoto、Kenji Takanashi、Nobuhiro Oikawa

  DOI：10.1021/acs.jmedchem.2c01099

  日期：2022.9.22

  unique tetracyclic scaffold. Compound 1 showed high TRK selectivity but moderate cell growth inhibitory activity as well as a potential risk of inducing CYP3A4. In this report, chemical modification intended to improve TRK inhibition and avoid CYP3A4 induction enabled us to identify an orally bioavailable, selective, and potent TRK inhibitor 7.

  涉及原肌球蛋白受体激酶 (TRK) 的激酶融合已被证明可作为强大的致癌驱动因子，因此被认为是有吸引力的治疗靶点。我们筛选了一个以激酶为中心的内部库，并确定了一种具有独特四环支架的有希望的命中化合物。化合物1显示出高 TRK 选择性，但具有中等的细胞生长抑制活性以及诱导 CYP3A4 的潜在风险。在本报告中，旨在改善 TRK 抑制和避免 CYP3A4 诱导的化学修饰使我们能够确定一种口服生物可利用的、选择性的和有效的 TRK 抑制剂7。