4-(tert-butyl)cyclohexanisocyanate | 31865-36-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(tert-butyl)cyclohexanisocyanate
• 英文别名: trans-1-(tert-Butyl)-4-isocyanatocyclohexane；1-tert-butyl-4-isocyanatocyclohexane
• CAS: 31865-36-8
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: SCGJIAWNVUIDNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(tert-butyl)cyclohexanisocyanate 、 1-Boc-4-氨基哌啶 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 C₂₁H₃₉N₃O₃
  参考文献：
  名称：

  1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea (AR9281) as a potent, selective, and orally available soluble epoxide hydrolase inhibitor with efficacy in rodent models of hypertension and dysglycemia

  摘要：

  1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea 14a (AR9281), a potent and selective soluble epoxide hydrolase inhibitor, was recently tested in a phase 2a clinical setting for its effectiveness in reducing blood pressure and improving insulin resistance in pre-diabetic patients. In a mouse model of diet induced obesity, AR9281 attenuated the enhanced glucose excursion following an intraperitoneal glucose tolerance test. AR9281 also attenuated the increase in blood pressure in angiotensin-II-induced hypertension in rats. These effects were dose-dependent and well correlated with inhibition of the sEH activity in whole blood, consistent with a role of sEH in the observed pharmacology in rodents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.042

文献信息

• Novel guanidinobenzamides
  申请人：——

  公开号：US20020137939A1

  公开（公告）日：2002-09-26

  Compounds of formula IA and IB are new 1 where the variables R 1 through R 10 have the values set forth herein. Such compounds have use in treating diseases such as obesity and type II diabetes, and may be provided as pharmaceutical formulations in conjunction with a pharmaceutically acceptable carrier.

  公式IA和IB的化合物是新的，其中变量R1到R10具有以下数值。这些化合物在治疗肥胖和2型糖尿病等疾病方面具有用途，并可作为与药学上可接受的载体结合的药物制剂提供。
• 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。
• Spiro-piperidine azetidinones as potent TRPV1 antagonists
  作者：Dong Xiao、Anandan Palani、Robert Aslanian、Brian A. McKittrick、Andrew T. McPhail、Craig C. Correll、P. Tara Phelps、John C. Anthes、Diane Rindgen

  DOI：10.1016/j.bmcl.2008.12.024

  日期：2009.2

  A series of spiro-piperidine azetidinone were synthesized and evaluated as potential TRPV1 antagonists. An important issue of plasma stability was investigated and resolved. Further focused SAR study lead to the discovery of a potent antagonist with good oral pharmacokinetic profile in rat. (C) 2008 Elsevier Ltd. All rights reserved.
• GUANIDINOBENZAMIDES AS MC4-R AGONISTS
  申请人：CHIRON CORPORATION

  公开号：EP1409468A2

  公开（公告）日：2004-04-21
• US6638927B2
  申请人：——

  公开号：US6638927B2

  公开（公告）日：2003-10-28