7-bromo-2,3-dihydro-benzo[1,4]dioxine-2-carbonitrile | 1221072-56-5

• 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: 7-bromo-2,3-dihydro-benzo[1,4]dioxine-2-carbonitrile
• 英文别名: 7-bromo-2,3-dihydro-1,4-benzodioxine-2-carbonitrile；7-bromo-2,3-dihydrobenzo[b][1,4]dioxine-2-carbonitrile；6-Bromo-2,3-dihydro-1,4-benzodioxine-3-carbonitrile
• CAS: 1221072-56-5
• 化学式: C₉H₆BrNO₂
• 分子量: 240.056
• InChiKey: FFGQNBAQFCNPDE-UHFFFAOYSA-N

物化性质

• 沸点：
  362.2±42.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-bromo-2,3-dihydro-benzo[1,4]dioxine-2-carbonitrile 在 palladium 10% on activated carbon 、 sodium methylate 、 氘 作用下， 以 甲醇 、 氘代甲醇 为溶剂， 20.0 ℃ 、137.9 kPa 条件下， 反应 8.08h， 生成 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl-7-d)-4,5-dihydro-1H-imidazole-4,4,5,5-d4
  参考文献：
  名称：

  [EN] DEUTERATED IDAZOXAN AND METHODS OF USE THEREOF
  [FR] IDAZOXAN DEUTÉRÉ ET SES PROCÉDÉS D'UTILISATION

  摘要：

  Deuterated forms of idazoxan according to Formula (I), and their pharmaceutically acceptable salts, pharmaceutical compositions containing these compounds, and methods of treatment or prevention using these compounds or pharmaceutical compositions are described. The compounds are useful for treating or preventing a disease or condition selected from psychosis, schizophrenia, schizoaffective disorder, Parkinson's disease, Lewy body dementia, sleep disorder (including insomnia), agitation, mood disorder (including depression), thromboembolic disorder, autism, and attention deficit hyperactivity disorder.

  公开号：

  WO2023159145A1
• 作为产物：
  描述：

  4-溴邻苯二酚 、 2-氯丙烯腈 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 7-bromo-2,3-dihydro-benzo[1,4]dioxine-2-carbonitrile
  参考文献：
  名称：

  COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES

  摘要：

  提供了一些作为免疫调节剂有用的化合物。这些化合物具有式(I)，包括立体异构体和其药用可接受盐，其中R1a、R1b、R1c、R1d、R2a、R2b、R3、R3a、R4、R5、R6、R7、R8和下标n如本文所定义。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。

  公开号：

  US20210002229A1

文献信息

• [EN] PYRIMIDO[4,5-B]INDOL DERIVATIVES AS PDHK1 INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDO[4,5-B]INDOLE EN TANT QU'INHIBITEURS DE PDHK1
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2020225077A1

  公开（公告）日：2020-11-12

  The present invention relates to piperidine derivatives of formula (I) wherein R1, and R2 are as described in the description, 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 inhibitors of the pyruvate dehydrogenase kinase PDHK1 and/or as modulators of the immunometabolism.

  本发明涉及式（I）的哌啶衍生物，其中R1和R2如描述中所述，其制备，其药学上可接受的盐，以及它们作为药物的用途，含有一个或多个式（I）化合物的药物组合物，尤其是它们作为丙酮酸脱氢酶激酶PDHK1的抑制剂和/或免疫代谢调节剂的用途。
• [EN] BENZODIOXAN ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS<br/>[FR] ANALOGUES DE BENZODIOXANE EN TANT QUE MODULATEURS DE RÉCEPTEUR ADRÉNERGIQUE ALPHA2C
  申请人：SCHERING CORP

  公开号：WO2010042477A1

  公开（公告）日：2010-04-15

  In its many embodiments, the present invention provides a novel class of benzodioxan analogues as modulators of the α2C adrenergic receptor, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more conditions associated with the α2C adrenergic receptors using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一种新的苯二氧杂环丙烷类似物作为α2C肾上腺素受体调节剂，以及制备这类化合物的方法，含有一种或多种这类化合物的药物组合物，制备含有一种或多种这类化合物的药物配方的方法，以及使用这类化合物或药物组合物治疗、预防、抑制或改善与α2C肾上腺素受体相关的一种或多种病症的方法。
• [EN] COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE MALADIES PD-L1
  申请人：CHEMOCENTRYX INC

  公开号：WO2020257549A2

  公开（公告）日：2020-12-24

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R1a, R1b, R1c, R1d, R2a, R2b, R3, R3a, R4, R5, R6, R7, R8 and the subscript n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.