(adamantan-1-ylmethoxy-methyl)-oxirane | 27866-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: (adamantan-1-ylmethoxy-methyl)-oxirane
• 英文别名: 1,2-epoxy-3-(1-adamantylmethoxy)propane；1--2.3-epoxy-propan；(1-Adamantyl)methyl glycidyl ether；2-(1-adamantylmethoxymethyl)oxirane
• CAS: 27866-06-4
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: MGAZEQZBTUPOCM-UHFFFAOYSA-N

物化性质

• 沸点：
  280.7±8.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (adamantan-1-ylmethoxy-methyl)-oxirane 、 1-(4-甲氧基苯基)-2-甲基丙烷-2-胺 生成 N-[2-Hydroxy-3-(1-adamantylmethoxy)propyl]-1,1-dimethyl-2-(4-methoxyphenyl) ethylamine Hydrochloride
  参考文献：
  名称：

  Method of using calcilytic compounds

  摘要：

  本发明涉及钙受体拮抗剂化合物。"钙受体拮抗剂化合物"指的是能够抑制钙受体活性的化合物。还描述了利用钙受体拮抗剂化合物来抑制钙受体活性和/或在患者中达到有益效果的方法；以及可用于获取额外钙受体拮抗剂化合物的技术。

  公开号：

  US06022894A1
• 作为产物：
  描述：

  1-金刚烷甲醇 、 环氧氯丙烷 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 (adamantan-1-ylmethoxy-methyl)-oxirane
  参考文献：
  名称：

  Novel Carvedilol Analogues That Suppress Store-Overload-Induced Ca²⁺ Release

  摘要：

  Carvedilol is a uniquely effective drug for the treatment of cardiac arrhythmias in patients with heart failure. This activity is in part because of its ability to inhibit store-overload-induced calcium release (SOICR) through the RyR2 channel. We describe the synthesis, characterization, and bioassay of ca. 100 compounds based on the carvedilol motif to identify features that correlate with and optimize SOICR inhibition. A single-cell bioassay was employed on the basis of the RyR2-R4496C mutant HEK-293 cell line in which calcium release from the endoplasmic reticulum through the defective channel was measured. IC50 values for SOICR inhibition were thus obtained. The compounds investigated contained modifications to the three principal subunits of carvedilol, including the carbazole and catechol moieties, as well as the linker chain containing the beta-amino alcohol functionality. The SAR results indicate that significant alterations are tolerated in each of the three subunits.

  DOI：

  10.1021/jm401090a

文献信息

• Calcilytic compounds
  申请人：Del Mar G. Eric

  公开号：US20050032850A1

  公开（公告）日：2005-02-10

  The present invention features calcilytic compounds. “Calcilytic compounds” refer to compounds able to inhibit calcium receptor activity. Also described are the use of calcilytic compounds to inhibit calcium receptor activity and/or achieve a beneficial effect in a patient; and techniques which can be used to obtain additional calcilytic compounds.

  本发明涉及钙解离化合物。 "钙解离化合物"是指能够抑制钙受体活性的化合物。还描述了使用钙解离化合物来抑制钙受体活性和/或在患者中获得有益效果的方法；以及可用于获得其他钙解离化合物的技术。
• CALCILYTIC COMPOUNDS
  申请人：Del Mar Eric G.

  公开号：US20070249702A1

  公开（公告）日：2007-10-25

  The present invention features calcilytic compounds. “Calcilytic compounds” refer to compounds able to inhibit calcium receptor activity. Also described are the use of calcilytic compounds to inhibit calcium receptor activity and/or achieve a beneficial effect in a patient; and techniques which can be used to obtain additional calcilytic compounds.

  本发明涉及钙解离化合物。 “钙解离化合物”是指能够抑制钙受体活性的化合物。同时，本发明还描述了使用钙解离化合物来抑制钙受体活性和/或在患者中获得有益效果的方法；以及可用于获得其他钙解离化合物的技术。
• US6022894A
  申请人：——

  公开号：US6022894A

  公开（公告）日：2000-02-08
• US6432656B1
  申请人：——

  公开号：US6432656B1

  公开（公告）日：2002-08-13
• US6521667B1
  申请人：——

  公开号：US6521667B1

  公开（公告）日：2003-02-18