4-(bis-N,N’-4-isopropylidene cyclohex-1-enylmethyloxycarbonyl[5-(2,5-dimethylphenyl)-3-trifluoromethylpyrazol-1-yl]benzenesulfonamide) | 1383381-41-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(bis-N,N’-4-isopropylidene cyclohex-1-enylmethyloxycarbonyl[5-(2,5-dimethylphenyl)-3-trifluoromethylpyrazol-1-yl]benzenesulfonamide)
• 英文别名: (4-propan-2-ylidenecyclohexen-1-yl)methyl N-[4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-N-[(4-propan-2-ylidenecyclohexen-1-yl)methoxycarbonyl]carbamate
• CAS: 1383381-41-6
• 化学式: C₄₀H₄₄F₃N₃O₆S
• 分子量: 751.867
• InChiKey: DXKUPPOGCPJOKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  trifluoromethanesulfonic acid 4-isopropylidenecyclohex-1-enyl ester 在 lithium aluminium tetrahydride 、 1,3-双(二苯基膦)丙烷 、 palladium diacetate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 、 甲苯 为溶剂， 反应 21.83h， 生成 4-(bis-N,N’-4-isopropylidene cyclohex-1-enylmethyloxycarbonyl[5-(2,5-dimethylphenyl)-3-trifluoromethylpyrazol-1-yl]benzenesulfonamide)
  参考文献：
  名称：

  Pharmaceutical Compositions Comprising Deuterium-Enriched Perillyl Alcohol, Iso-Perillyl Alcohol and Derivatives Thereof

  摘要：

  本发明提供了一种氘增强的单萜或倍半萜，例如桃金娘醇，或者一种氘增强的单萜或倍半萜的同系物或类似物，例如异桃金娘醇。本发明还提供了一种单萜或倍半萜的氘增强衍生物，例如桃金娘醇碳酰胺或一种单萜或倍半萜的同系物或类似物的氘增强衍生物，例如异桃金娘醇碳酰胺。所述氘增强衍生物可以是与治疗剂如化疗剂结合的桃金娘醇或异桃金娘醇。本发明还提供了一种治疗疾病如癌症的方法，包括向患者提供治疗有效量的氘增强化合物。

  公开号：

  US20160039731A1

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。
• Methods of treating neurofibromatosis with perillyl alcohol
  申请人：NeOnc Technologies, Inc.

  公开号：US11147809B2

  公开（公告）日：2021-10-19

  The present methods treat neurofibromatosis by a administering to a subject perillyl alcohol or iso-perillyl alcohol. The present methods also treat neurofibromatosis by administering to a subject a carbamate of perillyl alcohol, or a carbamate of iso-perillyl alcohol. The perillyl alcohol carbamate may comprise perillyl alcohol conjugated with rolipram or temozolomide.

  本方法通过向受试者施用perillyl 醇或异perillyl 醇来治疗神经纤维瘤病。本方法还可通过向受试者施用perillyl 醇的氨基甲酸酯或异perillyl 醇的氨基甲酸酯来治疗神经纤维瘤病。紫苏醇氨基甲酸酯可包括与罗利普仑或替莫唑胺共轭的紫苏醇。
• METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL
  申请人：NeOnc Technologies, Inc.

  公开号：US20170297985A1

  公开（公告）日：2017-10-19

  The present methods treat neurofibromatosis by administering to a subject perillyl alcohol or iso-perillyl alcohol The present methods also treat neurofibromatosis by administering to a subject a carbamate of perillyl alcohol, or a carbamate of iso-perillyl alcohol The perillyl alcohol carbamate may comprise perillyl alcohol conjugated with rolipram or temozolomide.
• METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL
  申请人：NeOnc Technologies, Inc.

  公开号：US20200170961A1

  公开（公告）日：2020-06-04

  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.
• US9211269B2
  申请人：——

  公开号：US9211269B2

  公开（公告）日：2015-12-15