2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(propan-2-yloxymethyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide | 1243259-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(propan-2-yloxymethyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
• CAS: 1243259-90-6
• 化学式: C₁₇H₂₂ClN₃O₃S
• 分子量: 383.899
• InChiKey: NHRLPAVZBKIQPV-CWQZNGJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  72.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 alkaline earth salt of/the/ methylsulfuric acid 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 生成 2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(propan-2-yloxymethyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
  参考文献：
  名称：

  The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-β-hydroxylase

  摘要：

  Aldosterone, the final component of the renin-angiotensin-aldosterone system, plays an important role in the pathophysiology of hypertension and congestive heart failure. Aldosterone synthase (CYP11B2) catalyzes the last three steps of aldosterone biosynthesis, and as such appears to be a target for the treatment of these disorders. A sulfonamide-imidazole scaffold has proven to be a potent inhibitor of CYP11B2. Furthermore, this scaffold can achieve high levels of selectivity for CYP11B2 over CYP11B1, a key enzyme in the biosynthesis of cortisol. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.086

文献信息

• The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-β-hydroxylase
  作者：Christopher M. Adams、Chii-Whei Hu、Arco Y. Jeng、Rajeshri Karki、Gary Ksander、Dan LaSala、Jennifer Leung-Chu、Guiqing Liang、Qian Liu、Erik Meredith、Chang Rao、Dean F. Rigel、Jie Shi、Sherri Smith、Clayton Springer、Chun Zhang

  DOI：10.1016/j.bmcl.2010.06.086

  日期：2010.8

  Aldosterone, the final component of the renin-angiotensin-aldosterone system, plays an important role in the pathophysiology of hypertension and congestive heart failure. Aldosterone synthase (CYP11B2) catalyzes the last three steps of aldosterone biosynthesis, and as such appears to be a target for the treatment of these disorders. A sulfonamide-imidazole scaffold has proven to be a potent inhibitor of CYP11B2. Furthermore, this scaffold can achieve high levels of selectivity for CYP11B2 over CYP11B1, a key enzyme in the biosynthesis of cortisol. (C) 2010 Elsevier Ltd. All rights reserved.