3-(1-氨基乙基)-1-金刚烷醇盐酸盐 | 90812-24-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(1-氨基乙基)-1-金刚烷醇盐酸盐
• 中文别名: 3-(1-氨基乙基)金刚烷-1-醇盐酸盐；3-(1-氨基乙基)-1-金刚醇盐酸盐
• 英文名称: 3-(1-aminoethyl)adamantan-1-ol hydrochloride
• 英文别名: 3-(1-aminoethyl)-1-hydroxyadamantane；3-(1-aminoethyl)adamantan-1-ol
• CAS: 90812-24-1；139492-00-5；139492-01-6
• 化学式: C₁₂H₂₁NO
• mdl: MFCD01825645
• 分子量: 195.305
• InChiKey: JVWKHPHTJHFQAN-UHFFFAOYSA-N

物化性质

• 熔点：
  111-112 °C(Solv: ethanol (64-17-5))
• 沸点：
  170-172 °C(Press: 15 Torr)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  3-(1-氨基乙基)-1-金刚烷醇盐酸盐 以50%的产率得到
  参考文献：
  名称：

  KOZHUSHKO, G. I.;MIZHDOX, O.;VOTYAKOV, V. J.;RUSYAEV, V. A.;DANILENKO, V.+, FARMATS. ZH., 1984, N 1, 37-40

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸金刚乙胺 在 盐酸 、 氢氧化钾 、 溴 作用下， 以 乙醚 、 水 为溶剂， 反应 66.25h， 生成 3-(1-氨基乙基)-1-金刚烷醇盐酸盐
  参考文献：
  名称：

  Synthesis and antiviral activity of metabolites of rimantadine

  摘要：

  The hydroxy metabolites of rimantadine (3-5) were synthesized and compared to amantadine (1) and rimantadine (2) for their ability to inhibit the replication of influenza viruses in vitro. All three metabolites were inhibitory to wild-type influenza A viruses (H3N2 and H1N1). In particular, 2-hydroxyrimantadine (3) showed similar activity to amantadine, but the 3- and 4-hydroxy metabolites (4 and 5, respectively), both of which are found in rimantadine-treated patients, showed only modest inhibitory activity. A rimantadine-resistant isolate of influenza A virus exhibited cross-resistance to amantadine and to each of the metabolites 3-5. None of the compounds were effective against influenza B virus.

  DOI：

  10.1021/jm00169a029

文献信息

• [EN] INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE<br/>[FR] INHIBITEURS DE L'INTÉGRINE ALPHA 2 BÊTA 1 ET PROCÉDÉS D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2019178248A1

  公开（公告）日：2019-09-19

  Disclosed herein, inter alia, are inhibitors of integrin alpha 2 beta 1 and methods of using the same.

  本文披露了抑制整合素α2β1的方法，以及使用这些方法的方法。
• Sulfamoyl Benzamides and Methods of Their Use
  申请人：Dolle E. Roland

  公开号：US20080058302A1

  公开（公告）日：2008-03-06

  Novel sulfamoyl benzamide compounds, pharmaceutical compositions containing the sulfamoyl benzamide compounds, and methods of their pharmaceutical use are disclosed. In certain embodiments, the sulfamoyl benzamide compounds are agonists and/or ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, inflammation, auto-immune diseases, ischemic conditions, immune-related disorders, hypertension, neurological disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, for inhibiting mechanical hyperalgesia associated with nerve injury, and as an appetite stimulant.

  本发明涉及新型磺酰胺苯甲酰胺化合物、含有该磺酰胺苯甲酰胺化合物的制药组合物以及它们的制药用途的方法。在某些实施例中，该磺酰胺苯甲酰胺化合物是大麻素受体的激动剂和/或配体，可用于治疗和/或预防疼痛、胃肠障碍、炎症、自身免疫性疾病、缺血性疾病、免疫相关疾病、高血压、神经系统疾病和神经退行性疾病，提供对缺血和再灌注效应的心脏保护作用，诱导恶性细胞凋亡，抑制与神经损伤相关的机械性高痛敏，并作为食欲刺激剂。
• Selective hydroxylation of adamantane and its derivatives
  作者：R. I. Khusnutdinov、N. A. Shchadneva、L. F. Mukhametshina、U. M. Dzhemilev

  DOI：10.1134/s1070428009080041

  日期：2009.8

  A general method was developed for hydroxylation into the nodal position of adamantane and its 1 and 2-substituted derivatives employing systems H2O-CBr4 (BrCCl3, CCl4) in the presence of complexes of Pd, Ni, Ru, CO, Mo, W, and Fe. The oxidants in the systems are hypochlorous (HOCl) or hypobromous (HOBr) acids generated from water and halomethanes under the reaction conditions.
• Synthesis and biological activity of some 1-hydroxy-3-aminoalkyladamantanes and their derivatives
  作者：L. N. Lavrova、M. K. Indulen、G. M. Ryazantseva、V. S. Korytnyi、V. G. Yashunskii

  DOI：10.1007/bf00769383

  日期：1990.1
• INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20210387986A1

  公开（公告）日：2021-12-16

  Disclosed herein, inter alia, are inhibitors of integrin alpha 2 beta 1 and methods of using the same.