Rho激酶抑制剂V | 1072906-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: Rho激酶抑制剂V
• 英文名称: N-(4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
• 英文别名: N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide；N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• CAS: 1072906-02-5
• 化学式: C₁₈H₁₅N₃O₃
• 分子量: 321.335
• InChiKey: MCQBNMPALTYSES-UHFFFAOYSA-N

物化性质

• 沸点：
  638.4±55.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	N-(4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide	446856-99-1	C15H12BrNO3	334.169

反应信息

• 作为产物：
  描述：

  4-吡唑硼酸频哪醇酯 、 N-(4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 Rho激酶抑制剂V
  参考文献：
  名称：

  Discovery of Substituted 4-(Pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as Potent and Highly Selective Rho Kinase (ROCK-II) Inhibitors

  摘要：

  The identification of a new class of potent and selective ROCK-II inhibitors is presented. Compound 5 (SR-3677) had an IC50 of similar to 3 nM in enzyme and cell based assays and had an off-tar-et hit rate of 1.4% against 353 kinases. and inhibited only 3 out of 70 nonkinase enzymes and receptors. Pharmacology studies showed that 5 was efficacious in both, increasing ex vivo aqueous humor outflow in porcine eves and inhibiting myosin light chain phosphorylation.

  DOI：

  10.1021/jm800986w

文献信息

• BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110150833A1

  公开（公告）日：2011-06-23

  Compounds useful as Rho kinase inhibitors of formula (1) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.

  提供了一些公式（1）中变量的Rho激酶抑制剂，这些化合物可用于治疗由Rho激酶介导的疾病。还提供了制备这些化合物的方法和治疗Rho激酶介导的疾病的方法。
• METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION
  申请人：The Brigham and Women's Hospital, Inc.

  公开号：EP2961405A1

  公开（公告）日：2016-01-06
• METHOD OF TREATING A VIRAL INFECTION DYSFUNCTION BY DISRUPTING AN ADENOSINE RECEPTOR PATHWAY
  申请人：Davis Ian C.

  公开号：US20130123345A1

  公开（公告）日：2013-05-16

  Described herein is a method of treating a viral infection such as an influenza infection, in a subject comprising administering an effective amount of a pharmaceutical composition to disrupt a adenosine receptor pathway, such as the Aradenosine receptor pathway, in a subject. The adenosine receptor pathway includes the steps of 1) producing the adenosine precursor adenosine triphosphate (ATP), 2) releasing ATP into the extracel lular space, 3) enzymatic conversion of ATP to adenosine, 4) activation of the adenosine receptor and the adenosine receptor cascade, and 5) clearance of adenosine from the extracellular space by degradation or uptake into a cell. The method includes affecting at least one of these steps so as to decrease the activation of the adenosine receptor pathway. This may be accomplished by decreasing the production, release, or conversion of ATP to adenosine, decreasing the expression of the adenosine receptor, antagonizing adenosine receptor activation, and/or increasing adenosine clearance.
• INHIBITION OF RHO AND OR ROCK AND CELL TRANSPLANTATION
  申请人：BIOAXONE BIOSCIENCES INC.

  公开号：US20150297643A1

  公开（公告）日：2015-10-22

  The present disclosure provides a multi-treatment combination to improve recovery after spinal cord injury or neurotrauma comprising: (a) Cell transplantation at the site of spinal cord injury and (b) Surgical delivery of BA-210. The combined treatment allows cells to be transplanted in the injury site during the acute trauma period, a time when the inflammatory response to neurotrauma adversely effects survival of transplanted cells. Early therapy delivered during critical care treatment after neurotrauma is essential for successful restorative therapy. The multi-treatment combination also provides a method to ensure that multi-potent transplanted cells do not become tumorigenic.
• TKI PERMEABILITY ENHANCERS
  申请人：City of Hope

  公开号：US20190083650A1

  公开（公告）日：2019-03-21

  Provided herein are, inter alia, methods useful for delivering nucleic acids and kinase inhibitors to a cell. The methods provided herein include the delivery of therapeutic nucleic acids to cancer cells by contacting a cancer cell with a kinase inhibitor and a therapeutic nucleic acid. The methods provided herein are therefore, inter alia, useful for the treatment of cancer.