(8-苯基-1,4-二噁螺[4.5]-8-癸基)甲醇 | 51510-00-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (8-苯基-1,4-二噁螺[4.5]-8-癸基)甲醇
• 英文名称: (8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
• 英文别名: 4-hydroxymethyl-4-phenylcyclohexanone, ethylene ketal；8-phenyl-1,4-dioxaspiro[4.5]decane-8-methanol；4-(hydroxymethyl)-4-phenylcyclohexanone
• CAS: 51510-00-0
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: FWJLUEHXVHEMRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (8-苯基-1,4-二噁螺[4.5]-8-癸基)甲醇 在 盐酸 、 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 、 甲苯 为溶剂， 生成 (RS)-β-[(4-oxo-1-phenylcyclohexyl)methoxy]-3,5-bis(trifluoromethyl)benzeneethanol
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4
• 作为产物：
  描述：

  4-氰-4-苯基环己酮 在 sodium tetrahydroborate 、 4-甲基苯磺酸吡啶 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 、 苯 为溶剂， 反应 3.0h， 生成 (8-苯基-1,4-二噁螺[4.5]-8-癸基)甲醇
  参考文献：
  名称：

  Discovery of disubstituted piperidines and homopiperidines as potent dual NK 1 receptor antagonists–serotonin reuptake transporter inhibitors for the treatment of depression

  摘要：

  This report describes the synthesis, structure-activity relationships and activity of piperidine, homopiperidine, and azocane derivatives combining NK1 receptor (NK1R) antagonism and serotonin reuptake transporter (SERT) inhibition. Our studies culminated in the discovery of piperidine 2 and homopiperidine 8 as potent dual NK1R antagonists-SERT inhibitors. Compound 2 demonstrated significant activity in the gerbil forced swimming test, suggesting that dual NK1R antagonists-SERT inhibitors may be useful in treating depression disorders. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.02.010

文献信息

• Cyclohexyl derivatives and their use as therapeutic agents
  申请人：——

  公开号：US20030225059A1

  公开（公告）日：2003-12-04

  The present invention relates compounds of the formula (I): wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of: (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k), (l) and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 13 , R 14 , R 15 , R 16 , R?17, R 18 , R 19 , R 21a and R 21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia. 1 2

  本发明涉及以下式(I)的化合物：其中环A是苯环或吡啶环；X代表从以下组中选择的连接基：(a)、(b)、(c)、(d)、(e)、(f)、(g)、(h)、(i)、(j)、(k)、(l)和R，R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R?17、R18、R19、R21a和R21b如本文所定义。这些化合物在治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面特别有用。
• Benzamide derivatives and uses related thereto
  申请人：Powers P. Jay

  公开号：US20070299080A1

  公开（公告）日：2007-12-27

  Benzamide derivatives of formula I are described and have therapeutic utility, particularly in the treatment of diabetes, obesity and related conditions and disorders: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and n are as defined herein.

  公式I的苯甲酰胺衍生物已被描述，并具有治疗效用，特别是在治疗糖尿病、肥胖和相关疾病和紊乱方面：其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义。
• 4-Arylcyclohexylamines
  申请人：The Upjohn Company

  公开号：US03979444A1

  公开（公告）日：1976-09-07

  The invention relates to novel 4-hydroxymethyl(acyloxymethyl and methyl)-4-arylcyclohexylamines embraced by the formula ##SPC1## Wherein Ar is an aromatic ring selected from the group consisting of phenyl and naphthyl, each of which has from zero through three substituents independently selected from the group consisting of fluorine, chlorine, bromine, lower alkyl of one through three carbon atoms, lower alkoxy of one through three carbon atoms, and lower alkylthio of one through three carbon atoms; Z is selected from the group consisting of hydrogen, hydroxy and lower acyloxy of one through four carbon atoms; .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof, with the proviso that when the stereoconfiguration of the linkage connecting the cyclohexane ring and CH.sub.2 Z is cis to the amino group, the linkage connecting the cyclohexane and Ar rings is trans, and vice versa; R.sup.1 is selected from the group consisting of hydrogen and lower alkyl of one through three carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, lower alkyl of one through three carbon atoms, ##EQU1## WHEREIN N IS 2 THROUGH 5 AND Ar has the same meaning as above; R.sup.1 and R.sup.2 taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and substituted pyrrolidino, piperidino, hexamethylenimino, morpholino and piperazino; and pharmacologically acceptable acid addition salts thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (I) and novel derivatives thereof. The administration to humans and animals of the novel compounds (I) depresses their central nervous systems and lowers their blood pressures.

  该发明涉及一种新型4-羟甲基(酰氧甲基和甲基)-4-芳基环己胺，其化学式如下：其中Ar是从苯基和萘基中选择的芳香环，每个环上独立选择的取代基包括氟、氯、溴、1至3个碳原子的低烷基、1至3个碳原子的低烷氧基和1至3个碳原子的低烷基硫基；Z选择自氢、羟基和1至4个碳原子的低酰氧基；~表示顺式和反式立体构型及其混合物，但当连接环己烷环和CH2Z的立体构型为顺时，连接环己烷环和Ar环的连接是反式，反之亦然；R1选择自氢和1至3个碳原子的低烷基；R2选择自氢、1至3个碳原子的低烷基、其中N为2至5且Ar的含义与上述相同；R1和R2与-N<一起构成从未取代和取代的吡咯啉基、哌啶基、六亚甲基基、吗啉基和哌嗪基中选择的饱和杂环氨基基团；以及其药理学上可接受的酸盐。它还涉及中间体和用于制备上述新化合物(I)及其新衍生物的过程。将该新型化合物(I)用于人类和动物，可抑制其中枢神经系统并降低其血压。
• WO2007/3965
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors
  作者：Daqing Sun、Zhulun Wang、Seb Caille、Michael DeGraffenreid、Felix Gonzalez-Lopez de Turiso、Randall Hungate、Juan C. Jaen、Ben Jiang、Lisa D. Julian、Ron Kelly、Dustin L. McMinn、Jacob Kaizerman、Yosup Rew、Athena Sudom、Hua Tu、Stefania Ursu、Nigel Walker、Maren Willcockson、Xuelei Yan、Qiuping Ye、Jay P. Powers

  DOI：10.1016/j.bmcl.2010.10.129

  日期：2011.1

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.