3,4,5-trimethoxybenzoic acid (4S)-isopropenylcyclohex-1-enylmethyl ester | 1333393-12-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4,5-trimethoxybenzoic acid (4S)-isopropenylcyclohex-1-enylmethyl ester
• 英文别名: 3,4,5-trimethoxybenzoic acid 4(S)-isopropenylenylmethyl ester；[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 3,4,5-trimethoxybenzoate
• CAS: 1333393-12-6
• 化学式: C₂₀H₂₆O₅
• 分子量: 346.423
• InChiKey: XFIFJNCFTRZHNN-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-dinitrobenzoic acid (4S)-isopropenylcyclohex-1-enylmethyl ester 在 甲醇 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 7.5h， 生成 3,4,5-trimethoxybenzoic acid (4S)-isopropenylcyclohex-1-enylmethyl ester
  参考文献：
  名称：

  [EN] TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL
  [FR] TRAITEMENT DU GLIOBLASTOME RÉCURRENT AVEC DE L'ALCOOL PÉRILLIQUE

  摘要：

  本发明提供了一种利用纯化的柠檬醇鼻内治疗胶质母细胞瘤的方法。使用本发明所披露的方法纯化的柠檬醇治疗复发性胶质母细胞瘤的患者，与历史对照组相比，生存率有所提高。患有异柠檬酸脱氢酶1（IDH1）突变的胶质母细胞瘤患者，与野生型IDH患者相比，生存率有所提高。

  公开号：

  WO2022104041A1

文献信息

• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES MONOTERPÈNES
  申请人：NEONC TECHNOLOGIES INC

  公开号：WO2011109635A1

  公开（公告）日：2011-09-09

  The present invention provides a process for purifying a monoterpene or sesquiterpene having a purity greater than about 98.5% (w/w) The process comprises the steps of derivatizing the monoterpene (or sesquiterpene) to produce a monoterpene (or sesquiterpene) derivative, separating the monoterpene (or sesquiterpene) derivative, and releasing the monoterpene (or sesquiterpene) from the derivative Also encompassed by the scope of the present invention is a pharmaceutical composition comprising a monoterpene (or sesquiterpene) having a purity greater than about 98.5% (w/w) The purified monoterpene can be used to treat a disease such as cancer The present monoterpene (or sesquiterpene) may be administered alone, or may be co-administered with radiation or other therapeutic agents, such as chemotherapeutic agents.

  本发明提供了一种用于纯化纯度大约高于98.5%（质量百分比）的单萜或倍半萜的过程。该过程包括将单萜（或倍半萜）衍生化以产生单萜（或倍半萜）衍生物，分离单萜（或倍半萜）衍生物，并从衍生物中释放单萜（或倍半萜）。本发明范围还涵盖了一种含有纯度大约高于98.5%（质量百分比）的单萜（或倍半萜）的药物组合物。纯化的单萜可用于治疗癌症等疾病。目前的单萜（或倍半萜）可以单独使用，也可以与放射线或其他治疗剂（如化疗药物）联合使用。
• PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES
  申请人：Chen Thomas

  公开号：US20110280860A1

  公开（公告）日：2011-11-17

  The present invention provides a process for purifying a monoterpene or sesquiterpene having a purity greater than about 98.5% (w/w). The process comprises the steps of derivatizing the monoterpene (or sesquiterpene) to produce a monoterpene (or sesquiterpene) derivative, separating the monoterpene (or sesquiterpene) derivative, and releasing the monoterpene (or sesquiterpene) from the derivative. Also encompassed by the scope of the present invention is a pharmaceutical composition comprising a monoterpene (or sesquiterpene) having a purity greater than about 98.5% (w/w). The purified monoterpene can be used to treat a disease such as cancer. The present monoterpene (or sesquiterpene) may be administered alone, or may be co-administered with radiation or other therapeutic agents, such as chemotherapeutic agents.

  本发明提供了一种纯化单萜或倍半萜的方法，其纯度大于约98.5%（w/w）。该方法包括将单萜（或倍半萜）衍生化以产生单萜（或倍半萜）衍生物，分离单萜（或倍半萜）衍生物，并从衍生物中释放单萜（或倍半萜）。本发明的范围还包括一种制药组合物，其中包括纯度大于约98.5%（w/w）的单萜（或倍半萜）。纯化后的单萜可用于治疗癌症等疾病。本单萜（或倍半萜）可以单独给药，也可以与放射线或其他治疗剂（如化疗剂）联合给药。
• Pharmaceutical compositions comprising monoterpenes
  申请人：NEONC Technologies, Inc.

  公开号：US10457618B2

  公开（公告）日：2019-10-29

  The present invention provides a process for purifying a monoterpene or sesquiterpene having a purity greater than about 98.5% (w/w). The process comprises the steps of derivatizing the monoterpene (or sesquiterpene) to produce a monoterpene (or sesquiterpene) derivative, separating the monoterpene (or sesquiterpene) derivative, and releasing the monoterpene (or sesquiterpene) from the derivative. Also encompassed by the scope of the present invention is a pharmaceutical composition comprising a monoterpene (or sesquiterpene) having a purity greater than about 98.5% (w/w). The purified monoterpene can be used to treat a disease such as cancer. The present monoterpene (or sesquiterpene) may be administered alone, or may be co-administered with radiation or other therapeutic agents, such as chemotherapeutic agents.

  本发明提供了一种提纯单萜或倍半萜的工艺，其纯度大于约 98.5%（w/w）。该工艺包括以下步骤：将单萜烯（或倍半萜）衍生化，生成单萜烯（或倍半萜）衍生物；分离单萜烯（或倍半萜）衍生物；从衍生物中释放单萜烯（或倍半萜）。本发明的范围还包括一种药物组合物，该组合物包含纯度大于约 98.5%（w/w）的单萜烯（或倍半萜）。纯化的单萜可用于治疗癌症等疾病。本单萜烯（或倍半萜）可单独给药，也可与辐射或其他治疗剂（如化疗剂）共同给药。
• PHARMACEUTICAL COMPOSITIONS COMPRISING (S)-perillyl alcohol
  申请人：Neonc Technologies Inc.

  公开号：EP2542082B1

  公开（公告）日：2020-05-06
• US8507734B2
  申请人：——

  公开号：US8507734B2

  公开（公告）日：2013-08-13