(S)-4-(benzyloxycarbonylamino)-1,1-dioxy-N-(4-pyridyl)thiochromane-7-carboxamide | 361370-20-9

• 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: (S)-4-(benzyloxycarbonylamino)-1,1-dioxy-N-(4-pyridyl)thiochromane-7-carboxamide
• 英文别名: benzyl N-[(4S)-1,1-dioxo-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate
• CAS: 361370-20-9
• 化学式: C₂₃H₂₁N₃O₅S
• 分子量: 451.503
• InChiKey: NRSZCVIUCRWBKE-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 、 (S)-4-(benzyloxycarbonylamino)-1,1-dioxythiochromane-7-carboxylic acid 生成 (S)-4-(benzyloxycarbonylamino)-1,1-dioxy-N-(4-pyridyl)thiochromane-7-carboxamide
  参考文献：
  名称：

  Amide compounds and use thereof

  摘要：

  本发明涉及一种式1的酰胺化合物，其中R1为氢等，R2为氢等，X为SO2等，Y为式（III）等，a为2，其异构体或其药学上可接受的盐。本发明的化合物显示出显著且选择性的Rho激酶抑制作用，不具有有毒性问题，显示出良好的口服吸收和药物动力学（药物的吸收、分布、代谢、排泄等），并且显示出优越的特性（例如稳定性等）作为一种化合物。因此，它可以作为治疗涉及Rho激酶的各种疾病的治疗药物。

  公开号：

  US20030158413A1

文献信息

• Triterpenes having human antifungal and antiyeast activity
  申请人：——

  公开号：US20020128210A1

  公开（公告）日：2002-09-12

  Methods of treating a fungal or yeast infection and of killing or inhibiting fungi or yeast are disclosed. The methods use derivatives of triterpenes that are abundant in birch bark and other plants. The triterpenes include betulin, allobetulin, and lupeol.

  公开了治疗真菌或酵母感染以及杀灭或抑制真菌或酵母的方法。这些方法使用在白桦树皮和其他植物中丰富的三萜类衍生物。这些三萜类包括栎皮醇、异栎皮醇和鲁皮醇。
• Triterpenes having antibacterial activity
  申请人：——

  公开号：US20020119935A1

  公开（公告）日：2002-08-29

  Methods of treating a bacterial infection and of killing or inhibiting bacteria are disclosed. The methods use derivatives of triterpenes that are abundant in birch bark and other plants. The triterpenes include betulin, allobetulin, and lupeol.

  揭示了治疗细菌感染以及杀灭或抑制细菌的方法。这些方法使用在桦树皮和其他植物中丰富的三萜类化合物衍生物。这些三萜类化合物包括白桦酚、异白桦酚和鲁皮醇。
• Amide compounds and use thereof
  申请人：——

  公开号：US20030158413A1

  公开（公告）日：2003-08-21

  The present invention relates to an amide compound of the formula 1 wherein R 1 is a hydrogen and the like, R 2 is a hydrogen and the like, X is SO 2 and the like, Y is the formula (III) and the like and a is 2, an isomer thereof or pharmaceutically acceptable salts thereof. The compound of the present invention shows a remarkable and selective Rho kinase inhibitory action, is free of problematic toxicity, shows fine oral absorption and drug kinetics (absorption, distribution, metabolism, excretion and the like of the drug), and shows superior properties (e.g., stability etc.) as a compound. Accordingly, it can be used as a therapeutic drug for various diseases in which Rho kinase is involved.

  本发明涉及一种式1的酰胺化合物，其中R1为氢等，R2为氢等，X为SO2等，Y为式（III）等，a为2，其异构体或其药学上可接受的盐。本发明的化合物显示出显著且选择性的Rho激酶抑制作用，不具有有毒性问题，显示出良好的口服吸收和药物动力学（药物的吸收、分布、代谢、排泄等），并且显示出优越的特性（例如稳定性等）作为一种化合物。因此，它可以作为治疗涉及Rho激酶的各种疾病的治疗药物。
• AMIDE COMPOUNDS AND USE THEREOF
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1270570A1

  公开（公告）日：2003-01-02

  The present invention relates to an amide compound of the formula wherein R1 is a hydrogen and the like, R2 is a hydrogen and the like, X is SO2 and the like, Y is the formula (III) and the like and a is 2, an isomer thereof or pharmaceutically acceptable salts thereof. The compound of the present invention shows a remarkable and selective Rho kinase inhibitory action, is free of problematic toxicity, shows fine oral absorption and drug kinetics (absorption, distribution, metabolism, excretion and the like of the drug), and shows superior properties (e.g., stability etc.) as a compound. Accordingly, it can be used as a therapeutic drug for various diseases in which Rho kinase is involved.

  本发明涉及一种如下式的酰胺化合物 其中 R1 为氢等，R2 为氢等，X 为 SO2 等，Y 为式（III）等，a 为 2、其异构体或其药学上可接受的盐。本发明的化合物具有显著和选择性的 Rho 激酶抑制作用，无毒性问题，口服吸收和药物动力学（药物的吸收、分布、代谢、排泄等）良好，并显示出作为化合物的优越性能（如稳定性等）。因此，它可以作为一种治疗药物，用于治疗 Rho 激酶参与的各种疾病。
• Anti-fungal formulation of triterpene and essential oil
  申请人：Carlson M. Robert

  公开号：US20050014730A1

  公开（公告）日：2005-01-20

  The present invention provides for pharmaceutical compositions that includes a triterpene (e.g., betulin) and an essential oil (Vicks® Vapor Rub). The present invention also provides for a cosmetic formulation that includes a triterpene (e.g., betulin) and an essential oil (Vicks® Vapor Rub). The present invention also provides a method of treating a fungal infection that includes administering (e.g., topically applying) an effective amount of the pharmaceutical composition to the tissue afflicted with the fungal infection, or the tissue at risk of being afflicted with the fungal infection.

  本发明提供的药物组合物包括一种三萜（如白桦脂）和一种精油（Vicks® Vapor Rub）。本发明还提供了一种化妆品配方，其中包括一种三萜（如白桦脂素）和一种精油（Vicks® Vapor Rub）。本发明还提供了一种治疗真菌感染的方法，该方法包括将有效量的药物组合物施用于（如局部施用）受真菌感染的组织或有受真菌感染风险的组织。