(4-异丙基-1,3-环己二烯-1-基)甲醇 | 1413-55-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: (4-异丙基-1,3-环己二烯-1-基)甲醇
• 英文名称: Anthemol
• 英文别名: (4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
• CAS: 1413-55-4
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: HBKLKBUNCSHWKO-UHFFFAOYSA-N

物化性质

• 沸点：
  80 °C(Press: 0.8 Torr)
• 密度：
  0.953±0.06 g/cm3(Predicted)
• 保留指数：
  1286

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906199090

反应信息

• 作为反应物：
  描述：

  (4-异丙基-1,3-环己二烯-1-基)甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-异丙基苯甲醛
  参考文献：
  名称：

  Semmler, Chemische Berichte, 1900, vol. 33, p. 1464

  摘要：

  DOI：
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 、 硫酸 作用下， 生成 (4-异丙基-1,3-环己二烯-1-基)甲醇
  参考文献：
  名称：

  Acid-Catalyzed Rearrangements of Nopinic Acid

  摘要：

  DOI：

  10.1021/jo01050a503

文献信息

• [EN] METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL<br/>[FR] PROCÉDÉS ET DISPOSITIFS POUR L'UTILISATION D'ALCOOL ISOPERILLYLIQUE
  申请人：NEO ONCOLOGY INC

  公开号：WO2012083178A1

  公开（公告）日：2012-06-21

  The present invention provides for a method of treating a disease such as cancer, comprising the step of administering to a patient a therapeutically effective amount of an isomer or analog of monoterpene or sesquiterpene (or its derivative), such as an isoperillyl alcohol. The present invention also provides for a method of treating a disease comprising the step of administering to a patient a therapeutically effective amount of a derivative of an isomer or analog of monoterpene or sesquiterpene, such as an isoperillyl alcohol carbamate. The derivative may be an isoperillyl alcohol conjugated with a therapeutic agent such as a chemotherapeutic agent. The route of administration may vary, including inhalation, intranasal, oral, transdermal, intravenous, subcutaneous or intramuscular injection.

  本发明提供了一种治疗疾病的方法，包括向患者施用单萜或倍半萜的异构体或类似物（或其衍生物）的治疗有效量，例如异壬醇。本发明还提供了一种治疗疾病的方法，包括向患者施用单萜或倍半萜的异构体或类似物的衍生物的治疗有效量，例如异壬醇氨基甲酸酯。该衍生物可以是与化疗药物等治疗剂结合的异壬醇。给药途径可以有所不同，包括吸入、鼻内、口服、经皮、静脉、皮下或肌肉注射。
• Treatment for inhibiting neoplastic lesions
  申请人：——

  公开号：US20040092583A1

  公开（公告）日：2004-05-13

  The invention discloses the use of incensole and/or furanogermacrens, derivatives metabolites and precursors thereof in the treatment of neoplasia, particularly resistant neoplasia and immunodysregulatory disorders. These compounds can be administered alone or in combination with conventional chemotherapeutic, anti-rival, anti-parasite agents, radiation and/or surgery.

  本发明公开了incensole 和/或 furanogermacrens、其衍生物代谢物和前体在治疗肿瘤，特别是抗药性肿瘤和免疫调节紊乱方面的用途。这些化合物可单独施用，也可与常规化疗、抗对手药、抗寄生虫药、放射线和/或手术联合使用。
• Wallach, Justus Liebigs Annalen der Chemie, 1908, vol. 360, p. 91
  作者：Wallach

  DOI：——

  日期：——
• Schlosser, Manfred; Bosshardt, Herbert; Walde, Annelis, Angewandte Chemie, 1980, vol. 92, # 4, p. 302
  作者：Schlosser, Manfred、Bosshardt, Herbert、Walde, Annelis、Staehle, Manfred

  DOI：——

  日期：——
• Biotransformation of α-Terpinene in Common Cutworm Larvae (<i>Spodoptera litura</i> Fabricius)
  作者：Mitsuo Miyazawa、Takashi Wada、Hiromu Kameoka

  DOI：10.1021/jf9502966

  日期：1996.1.1

  alpha-Terpinene was mixed in an artificial diet at a concentration of 10 mg/g of diet, and the diet was fed to the last instar larvae of common cutworm, Spodoptera litura Fabricius. Metabolites were recovered from frass and analyzed spectroscopically. The alpha-terpinene was transformed mainly to 4-isopropyl-1,3-cyclohexadienoic acid and cumic acid. The allylic methyl group of alpha-terpinene was preferentially oxidized. The results indicate that the intestinal bacteria probably participated in the metabolism of alpha-terpinene. The aerobically active intestinal bacteria transformed alpha-terpinene to 4-isopropyl-1,3-cyclohexadienemethanol, and the anaerobically active intestinal bacteria transformed alpha-terpinene to p-cymene.