(1H-indazol-5-yl)(phenyl)methanol | 1025762-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: (1H-indazol-5-yl)(phenyl)methanol
• 英文别名: 1H-indazol-5-yl(phenyl)methanol
• CAS: 1025762-64-4
• 化学式: C₁₄H₁₂N₂O
• 分子量: 224.262
• InChiKey: KTDBTLZTCICSDV-UHFFFAOYSA-N

物化性质

• 沸点：
  455.7±30.0 °C(Predicted)
• 密度：
  1.298±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1H-indazol-5-yl)(phenyl)methanol 在 四氯化钛 、 sodium hydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 27.0h， 生成 3-(1-cycloheptyl-1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropanoic acid
  参考文献：
  名称：

  Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists

  摘要：

  Modification of a phenolic lead structure based on lessons learned from increasing the potency of steroidal glucocorticoid agonists lead to the discovery of exceptionally potent, nonsteroidal, indazole GR agonists. SAR was developed to achieve good selectivity against other nuclear hormone receptors with the ultimate goal of achieving a dissociated GR agonist as measured by human in vitro assays. The specific interactions by which this class of compounds inhibits GR was elucidated by solving an X-ray co-crystal structure. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.06.089
• 作为产物：
  描述：

  1H-吲唑-5-甲醛 、 苯基溴化镁 在 四甲基乙二胺 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以64%的产率得到(1H-indazol-5-yl)(phenyl)methanol
  参考文献：
  名称：

  WO2008/57857

  摘要：

  公开号：

文献信息

• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Sheppeck James E.

  公开号：US20100075961A1

  公开（公告）日：2010-03-25

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including inflammatory and immune diseases, obesity and diabetes having the structure of formula (I), its enantiomers, diastereomers, or a pharmaceutically acceptable salt, or hydrate, thereof, wherein X is (Ia); or X is (Ib); or X is (Ic); (Id) is heterocycle or heteroaryl; E is —N—, —NR 1 —, —O—, —S—, —SO 2 — or —CR 2 —; F is —N—, —NR 1a —, —O—, —S—, —SO 2 — or —CR 2a —; G is N, —NR 1b —, —O—, —S—, —SO 2 — or —CR 2b —, provided that the E-F-G containing heterocyclic ring formed does not contain a S—S or S—O bond, and at least one of E, F and G is a heteroatom; J, J a , M, M a , Q, R x , R y , R 1 , R 1a , R 1b , R 2 , R 2a , R 2b , and R 3 to R 21 , Z, Z a , Z b , and Z c are as defined above.

  提供了一种新型的非类固醇化合物，其结构式（I）及其对映异构体、二对映异构体或其药学上可接受的盐或水合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括炎症和免疫性疾病、肥胖和糖尿病，其中X为（Ia）; 或X为（Ib）; 或X为（Ic）; （Id）为杂环或杂芳基; E为—N—、—NR1—、—O—、—S—、—SO2—或—CR2—; F为—N—、—NR1a—、—O—、—S—、—SO2—或—CR2a—; G为N、—NR1b—、—O—、—S—、—SO2—或—CR2b—，但E、F和G中含有的杂环环不含有S—S或S—O键，且E、F和G中至少有一个是杂原子; J、Ja、M、Ma、Q、Rx、Ry、R1、R1a、R1b、R2、R2a、R2b和R3到R21、Z、Za、Zb和Zc的定义如上所述。
• Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof
  申请人：Bristol-Myers Squibb Company

  公开号：US08067447B2

  公开（公告）日：2011-11-29

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, and/or AP-1, and/or NF-κB activity including inflammatory and immune diseases, obesity and diabetes having the structure of formula (I), its enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, wherein (Ia) is heterocycle or heteroaryl; J, Ja, E, F, G, Ma, M, Q, Za and Z are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了新型非甾体化合物，其有助于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括炎症和免疫性疾病、肥胖和糖尿病，其结构式（I），其对映体，二对映异构体或其药学上可接受的盐或水合物，其中（Ia）是杂环或杂环芳基；J，Ja，E，F，G，Ma，M，Q，Za和Z如本文所定义。还提供了制药组合物和使用该化合物治疗炎症或免疫相关疾病以及肥胖和糖尿病的方法。
• WO2008/57857
  申请人：——

  公开号：——

  公开（公告）日：——
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：EP2094692B1

  公开（公告）日：2012-11-28
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- B ACTIVITY AND USE THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：EP2099767A1

  公开（公告）日：2009-09-16