6-chloro-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid | 70918-58-0

• 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: 6-chloro-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
• 英文别名: 6-chloro-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
• CAS: 70918-58-0
• 化学式: C₉H₇ClO₄
• 分子量: 214.605
• InChiKey: MNHNWDHFZWYPIJ-UHFFFAOYSA-N

物化性质

• 熔点：
  145-146 °C(mixture of isomers)
• 沸点：
  383.0±42.0 °C(Predicted)
• 密度：
  1.505±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid 生成 6-chloro-2,3-dihydro-1,4-benzodioxine-2-carbonyl chloride
  参考文献：
  名称：

  CAMPBELL S. F.; DAVEY M. J.; HARDSTONE J. D.; LEWIS B. N. (IN PART); PALM+, J. MED. CHEM., 30,(1987) N 1, 49-57

  摘要：

  DOI：
• 作为产物：
  描述：

  (6-chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methanol 在 Jones reagent 作用下， 以 丙酮 为溶剂， 以23%的产率得到6-chloro-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
  参考文献：
  名称：

  NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS

  摘要：

  本发明涉及作为CC化学趋化因子受体（如CCR1）配体的苯二氧杂环己烷和苯并噁嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。

  公开号：

  US20100152160A1

文献信息

• [EN] SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] CYCLOLALKYLES SUBSTITUÉS EN TANT QUE MODULATEURS DE LA VOIE DE STRESS INTÉGRÉE
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2020223536A1

  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.

  本文提供了用于调节综合应激反应（ISR）并治疗相关疾病、疾病和症状的化合物、组合物和方法。
• BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110052562A1

  公开（公告）日：2011-03-03

  Compounds useful as Rho kinase inhibitors according to formula IA or IB: wherein A, B, D, E, R 1 , R 2 and Ar 1 are as defined herein, and any tautomer, salt, stereoisomer, hydrate, solvent, or prodrug thereof, pharmaceutical compositions, methods of treatment, and synthetic methods are provided.

  提供公式IA或IB所示的有用的Rho激酶抑制剂化合物：其中A、B、D、E、R1、R2和Ar1的定义如本文所述，并提供任何互变异构体、盐、立体异构体、水合物、溶剂或前药，以及制药组合物、治疗方法和合成方法。
• 2,4-Diamino-6,7-dimethoxyquinazolines. 1. 2-[4-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-1-yl] derivatives as .alpha.1-adrenoceptor antagonists and antihypertensive agents
  作者：Simon F. Campbell、Michael J. Davey、J. David Hardstone、Brian N. Lewis、Michael J. Palmer

  DOI：10.1021/jm00384a009

  日期：1987.1

  A series of 4-amino-2-[4-(1,4-benzodioxan-2-ylcarbonyl)piperazin-1 -yl]-6, 7-dimethoxyquinazoline derivatives was synthesized for evaluation as alpha-antagonists and antihypertensive agents. Most compounds displayed high (nM) binding affinity for alpha 1-adrenoceptors with no significant activity at alpha 2-sites. Selective antagonism of the alpha 1-mediated vasoconstrictor effects of norepinephrine is also characteristic of the series. Structure-activity relationships for alpha 1-adrenoceptor affinity are presented, and structural similarity between the 2,4-diamino-6,7-dimethoxyquinazoline nucleus and norepinephrine is established. An alpha 1-receptor model is presented in which charge-reinforced hydrogen bonding is important for binding of both antagonist and agonist molecules. Antihypertensive activity was evaluated after oral administration (5 mg/kg) to spontaneously hypertensive rats, and several compounds displayed similar efficacy to prazosin when assessed after 6 h. On the basis of alpha 1-adrenoceptor affinity/selectivity in vitro and duration of antihypertensive action in vivo, compound 1 (doxazosin) was selected for further evaluation and is currently progressing through phase III clinical trials.
• MODULATORS OF THE INTEGRATED STRESS PATHWAY
  申请人：Calico Life Sciences LLC

  公开号：US20210169892A1

  公开（公告）日：2021-06-10

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions.
• [EN] NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZODIOXANE ET BENZOXAZINE UTILES EN TANT QUE LIGANDS POUR LES RÉCEPTEURS DE CHIMIOKINE CC
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010068881A1

  公开（公告）日：2010-06-17

  The present invention relates to benzodioxane and benzoxazine derivatives that act as ligands for CC chemokine receptors, such as CCRl. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.