1-(1-benzylpiperidin-4-yl)-3-(3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2,5-trimethylhexyl)urea | 1025767-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(1-benzylpiperidin-4-yl)-3-(3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2,5-trimethylhexyl)urea
• 英文别名: 1-(1-Benzylpiperidin-4-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
• CAS: 1025767-55-8
• 化学式: C₃₅H₄₄FN₅O
• 分子量: 569.766
• InChiKey: NOXKKGWWSCHUIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

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。
• US8198311B2
  申请人：——

  公开号：US8198311B2

  公开（公告）日：2012-06-12