3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate | 1383381-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑四嗪类
• 英文名称: 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate
• 英文别名: 3-Methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate；3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate
• CAS: 1383381-37-0
• 化学式: C₇H₄N₆O₃
• 分子量: 220.147
• InChiKey: QIALRSFOFFWEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate 、 (S)-(-)-紫苏醇 以 1,2-二氯乙烷 为溶剂， 反应 14.0h， 以89%的产率得到NEO212
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES
  [FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES DÉRIVÉS DE POH

  摘要：

  本发明提供了一种单萜或倍半萜的衍生物，例如一种胡椒醇衍生物。例如，该胡椒醇衍生物可以是胡椒醇碳酰胺。胡椒醇衍生物可以是胡椒醇与治疗剂如化疗药物结合的产物。本发明还提供了一种治疗疾病的方法，例如原发皮肤淋巴瘤，可能是皮肤T细胞淋巴瘤（CTCL）。CTCL可能是真菌病样皮肤T细胞淋巴瘤、原发皮肤间变性大细胞淋巴瘤（ALCL）或塞扎里综合征。可以向患者施用一种单萜（或倍半萜）衍生物的治疗有效量。

  公开号：

  WO2021061752A1
• 作为产物：
  描述：

  草酰氯 、 替莫唑胺 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl isocyanate
  参考文献：
  名称：

  [EN] PRODRUGS FOR SUSTAINED RELEASING THERAPEUTIC AGENTS AND USES THEREOF
  [FR] PROMÉDICAMENTS POUR AGENTS THÉRAPEUTIQUES À LIBÉRATION PROLONGÉE ET LEURS UTILISATIONS

  摘要：

  提供了用于缓释治疗剂的前药，以及使用这种前药治疗疾病的方法。

  公开号：

  WO2022083679A1

文献信息

• Pharmaceutical Compositions Comprising Deuterium-Enriched Perillyl Alcohol, Iso-Perillyl Alcohol and Derivatives Thereof
  申请人：NEONC TECHNOLOGIES INC.

  公开号：US20160039731A1

  公开（公告）日：2016-02-11

  The present invention, provides for a deuterium-enriched monoterpene or sesquiterpene such as perillyl alcohol, or a deuterium-enriched isomer or analog of monoterpenes or sesquiterpenes, such as isoperillyl alcohol. The present invention also provides for a deuterium-enriched derivative of a monoterpene or sesquiterpene, such as a perillyl alcohol carbamate or a deuterium-enriched derivative of an isomer or analog of a monoterpene or sesquiterpene, such as an isoperillyl alcohol carbamate. The deuterium-enriched derivative may be perillyl alcohol or isoperillyl alcohol conjugated with a therapeutic agent such as a chemotherapeutic agent. The present invention also provides for a method of treating a disease such as cancer, comprising the step of delivering to a patient a therapeutically effective amount of a deuterium-enriched compound.

  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。
• [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。
• [EN] COMPOSITIONS AND METHODS OF DECREASING MEDICATION ERRORS<br/>[FR] COMPOSITIONS ET MÉTHODES DESTINÉES À RÉDUIRE LES ERREURS DE MÉDICATION
  申请人：AZHC LLC

  公开号：WO2019014420A1

  公开（公告）日：2019-01-17

  The present disclosure provides for a method of decreasing medication errors by adding an odorant to a pharmaceutical composition comprising an active agent. The odorant has a distinct and characteristic odor. Thus, the pharmaceutical composition comprising the active agent can be properly identified by the characteristic odor.

  本公开提供了一种通过向包含活性成分的药物组合物中添加香料来减少药物错误的方法。该香料具有独特且特征性的气味。因此，可以通过这种特征性气味正确识别包含活性成分的药物组合物。
• PHARMACEUTICAL COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVES
  申请人：NEONC TECHNOLOGIES INC.

  公开号：US20160237092A1

  公开（公告）日：2016-08-18

  A pharmaceutical composition is provided which includes perillyl alcohol conjugated with a therapeutic agent and further includes and a hydrolyzable acylated aliphatic tail. A method of using the pharmaceutical composition is also provided for treating a condition or disease of a patient, e.g., cancer.

  提供了一种包括与治疗剂结合的橙皮醇和可水解的酰化脂肪尾部的药物组合物。还提供了一种使用该药物组合物治疗患者的疾病或病症的方法，例如癌症。
• METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL
  申请人：NEONC TECHNOLOGIES INC.

  公开号：US20150359754A1

  公开（公告）日：2015-12-17

  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（如癌症）的方法，包括向患者注射单萜烯或倍半萜烯（或其衍生物）的异构体或类似物，例如异壬醇。本发明还提供了一种治疗疾病的方法，包括向患者注射单萜烯或倍半萜烯（或其衍生物）的异构体或类似物的衍生物，例如异壬醇氨甲酸酯。该衍生物可以与化疗药物等治疗剂结合。给药途径可以各不相同，包括吸入、鼻腔内、口服、经皮、静脉内、皮下或肌肉注射。