8-chloro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde | 851398-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 8-chloro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde
• 英文别名: 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde；5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
• CAS: 851398-61-3
• 化学式: C₉H₇ClO₃
• mdl: MFCD06380367
• 分子量: 198.606
• InChiKey: QNMGAQWLVFYMGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-chloro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde 在 12-冠醚-4 、 sodium hydride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 (1SR,2RS,3RS)-ethyl 2-(8-chloro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-phenylcyclopropanecarboxylate
  参考文献：
  名称：

  [EN] HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS D'HISTONE DÉSACÉTYLASE AINSI QUE COMPOSITIONS ET MÉTHODES D'UTILISATION ASSOCIÉES

  摘要：

  公开号：

  WO2014014900A8

文献信息

• [EN] PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE UTILISÉS EN TANT QUE MODULATEURS DES RÉCEPTEURS DES PGE2
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2018210988A1

  公开（公告）日：2018-11-22

  The present invention relates to pyrimidine derivatives of formula (I) wherein (R1)n, R3, R4a, R4b, R5a, R5b and Ar1 are as described in the description and their use in the treatment of cancer by modulating an immune response comprising a reactivation of the immune system in the tumor. The invention further relates to novel benzofurane and benzothiophene derivatives of formula (II) and their use as pharmaceuticals, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式(I)的嘧啶衍生物，其中(R1)n，R3，R4a，R4b，R5a，R5b和Ar1如描述中所述，以及它们通过调节免疫反应，包括肿瘤中免疫系统的再激活，用于治疗癌症。本发明进一步涉及新颖的苯并呋喃和苯并噻吩衍生物式(II)，及其作为药物的使用，其制备，药用可接受的盐，及其作为药物的使用，以及包含式(I)中一个或多个化合物的药物组合物，尤其是它们作为前列腺素2受体EP2和/或EP4的调节剂的使用。
• Design, Synthesis, and Biological Evaluation of Potent and Selective Class IIa Histone Deacetylase (HDAC) Inhibitors as a Potential Therapy for Huntington’s Disease
  作者：Roland W. Bürli、Christopher A. Luckhurst、Omar Aziz、Kim L. Matthews、Dawn Yates、Kathy. A. Lyons、Maria Beconi、George McAllister、Perla Breccia、Andrew J. Stott、Stephen D. Penrose、Michael Wall、Marieke Lamers、Philip Leonard、Ilka Müller、Christine M. Richardson、Rebecca Jarvis、Liz Stones、Samantha Hughes、Grant Wishart、Alan F. Haughan、Catherine O’Connell、Tania Mead、Hannah McNeil、Julie Vann、John Mangette、Michel Maillard、Vahri Beaumont、Ignacio Munoz-Sanjuan、Celia Dominguez

  DOI：10.1021/jm4011884

  日期：2013.12.27

  Inhibition of class IIa histone deacetylase (HDAC) enzymes have been suggested as a therapeutic strategy for a number of diseases, including Huntington’s disease. Catalytic-site small molecule inhibitors of the class IIa HDAC4, -5, -7, and -9 were developed. These trisubstituted diarylcyclopropanehydroxamic acids were designed to exploit a lower pocket that is characteristic for the class IIa HDACs

  有人提出抑制IIa类组蛋白脱乙酰基酶（HDAC）酶可以作为许多疾病的治疗策略，包括亨廷顿氏病。开发了IIa类HDAC4，-5，-7和-9的催化位点小分子抑制剂。这些三取代的二芳基环丙烷异羟肟酸被设计用于开发IIa类HDAC特有的下部口袋，而其他HDAC类中不存在。所选的抑制剂与人HDAC4的催化结构域共结晶。我们以“闭环”形式描述了第一个HDAC4催化域晶体结构，在我们看来代表了生物学相关的构象。我们已经证明这些分子可以区分IIa类HDAC与I类和IIb类亚型。它们表现出药代动力学特性，应该能够评估它们在周围和中枢神经系统疾病中的治疗效果。这些选择性抑制剂提供了用于评估体内临床前模型中潜在功效的手段。
• [EN] BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS BICYCLIQUES PONTÉS POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2013003383A1

  公开（公告）日：2013-01-03

  Novel bridged bicyclic compounds are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antibacterial agents. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating bacterial infections and associated diseases and conditions.

  本文披露了新型桥环双环化合物，以及它们的药用盐、水合物和前药。还披露了包含这些化合物的组合物，制备这些化合物的方法以及将这些化合物用作抗菌剂的方法。所披露的化合物、其药用盐、水合物和前药，以及包含这些化合物、盐、水合物和前药的组合物，可用于治疗细菌感染及相关疾病和症状。
• [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI FOUNDATION INC

  公开号：WO2015047978A1

  公开（公告）日：2015-04-02

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease.

  本文提供了某些化合物，或其药用可接受的盐或前药。还提供了包括至少一种在此描述的化合物，或其药用可接受的盐或前药以及一个或多个药用可接受的载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和紊乱的方法，包括向这些患者施用至少一种在此描述的化合物，或其药用可接受的盐或前药的量，有效减少疾病或紊乱的症状。这些疾病包括亨廷顿病等神经退行性疾病。
• Prokineticin Receptor Antagonists And Uses Thereof
  申请人：Zhou Qun-Yong

  公开号：US20120035149A1

  公开（公告）日：2012-02-09

  Contemplated compounds, compositions, and methods of prokineticin antagonists are presented where a prokineticin antagonist is used in the treatment and prevention of various conditions and disorders, and especially type II diabetes.

  本文提出了一种思考过的化合物、组合物和拮抗前动素方法，其中使用拮抗前动素用于治疗和预防各种疾病和疾病，尤其是2型糖尿病。