cis-1-hydroxy-4-phenyl-4-(aminomethyl)cyclohexane | 267405-16-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-1-hydroxy-4-phenyl-4-(aminomethyl)cyclohexane
• CAS: 267405-16-3
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: MHJFMILGCWFNPG-JOCQHMNTSA-N

物化性质

• 沸点：
  345.1±35.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.25
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  cis-1-hydroxy-4-phenyl-4-(aminomethyl)cyclohexane 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Carbonic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester 4-nitro-phenyl ester
  参考文献：
  名称：

  Benzamide derivatives as blockers of Kv1.3 ion channel

  摘要：

  The voltage-gated potassium channel, Kv1.3, is present in human T-lymphocytes. Blockade of Kv1.3 results in T-cell depolarization, inhibition of T-cell activation, and attenuation of immune responses in vivo. A class of benzamide Kv1.3 channel inhibitors has been identified. The structure-activity relationship within this class of compounds in two functional assays, Rb_Kv and T-cell proliferation, is presented. In in vitro assays, trans isomers display moderate selectivity for binding to Kv1.3 over other Kv1.3 channels present in human brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00014-3
• 作为产物：
  描述：

  4-氰-4-苯基环己酮 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 cis-1-hydroxy-4-phenyl-4-(aminomethyl)cyclohexane
  参考文献：
  名称：

  Carbocyclic potassium channel inhibitors

  摘要：

  本发明涉及一类具有式I结构的碳环化合物，这些化合物可作为钾通道抑制剂，用于治疗自身免疫性疾病、心律失常等病症。

  公开号：

  US06632836B1

文献信息

• FUSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF POTASSIUM CHANNEL FUNCTION
  申请人：Johnson James A.

  公开号：US20100247534A1

  公开（公告）日：2010-09-30

  A compound of formula I wherein m, n, A, B, D, E, G, H, Y, R 1 , R 2 , R 3 , R 4 , R 5 , and R 8 , are described herein.

  这是一个化学式，公式为I，其中m，n，A，B，D，E，G，H，Y，R1，R2，R3，R4，R5和R8在此被描述。
• ORGANIC COMPOUNDS
  申请人：Bäschlin Daniel Kaspar

  公开号：US20130012485A1

  公开（公告）日：2013-01-10

  Compounds of the formula (I) are provided: wherein V, W, X, Y, Z, R 3 , R 4 , R 5 , R 6 , R 7 and m are as defined in the specification; and pharmaceutically acceptable salts and prodrugs thereof. The compounds may be useful in the treatment or prevention of various diseases and conditions in which dipeptidylpeptidase-IV (DPP-IV) is implicated.

  提供了化学式（I）的化合物： 其中V、W、X、Y、Z、R3、R4、R5、R6、R7和m的定义如规范中所述；以及其药学上可接受的盐和前药。这些化合物可能在治疗或预防各种与二肽基肽酶-IV（DPP-IV）有关的疾病和病况中有用。
• Pseudosaccharin amines as potent and selective K V 1.5 blockers
  作者：John Lloyd、Heather J. Finlay、Alexander Kover、James Johnson、Zulan Pi、Ji Jiang、James Neels、Cullen Cavallaro、Ruth Wexler、Mary Lee Conder、Hong Shi、Danshi Li、Huabin Sun、Anjaneya Chimalakonda、Christine Huang、Mark Salvati、Paul Levesque

  DOI：10.1016/j.bmcl.2015.02.066

  日期：2015.11

  Phenethyl aminoheterocycles like compound 1 were known to be potent I-Kur blockers although they lacked potency in vivo. Modification of the heterocycle led to the design and synthesis of pseudosaccharin amines. Compounds such as 14, 17d and 21c were found to be potent K(V)1.5 blockers and selective over other cardiac ion channels. These compounds had potent pharmacodynamic activity, however, they also showed off-target activities such as hemodynamic effects. (C) 2015 Elsevier Ltd. All rights reserved.
• CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1143965B1

  公开（公告）日：2009-02-25
• EP1143965A4
  申请人：——

  公开号：EP1143965A4

  公开（公告）日：2002-10-09