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

  DOI：——

  日期：——
• 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.