6-Hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-Hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one
• 英文别名: 16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
• 化学式: C₂₆H₂₁N₃O₄
• 分子量: 439.5
• InChiKey: UIARLYUEJFELEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  88.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one 生成 16-(Aminomethyl)-16-hydroxy-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
  参考文献：
  名称：

  KOYAMA, MASAO;XATISU, MITSUGU;OTANI, NORIKO;SEHSAKI, MASATSUGU

  摘要：

  DOI：

文献信息

• [EN] MITOTIC KINESIN INHIBITORS<br/>[FR] INHIBITEURS DE KINESINE MITOTIQUE
  申请人：MERCK & CO INC

  公开号：WO2003106417A1

  公开（公告）日：2003-12-24

  The present invention relates to dihydropyrazole compounds that are useful for treating cellular proliferative diseases, for treating disorders associated with KSP kinesin activity, and for inhibiting KSP kinesin. The invention also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及二氢吡唑化合物，用于治疗细胞增殖性疾病，治疗与KSP动力蛋白活性相关的疾病，并抑制KSP动力蛋白。该发明还涉及包含这些化合物的组合物，以及使用它们治疗哺乳动物癌症的方法。
• [EN] MATRIX METALLOPROTEINASE INHIBITORS (MMPIS)<br/>[FR] INHIBITEURS DE MÉTALLOPROTÉINASE MATRICIELLE (MMPIS)
  申请人：BRANDON UNIV

  公开号：WO2022000071A1

  公开（公告）日：2022-01-06

  Relates to a compound of Formula I a salt, hydrate, solvate, tautomer, enantiomer, racemate, diastereomer, or combination thereof. Also, relates to a compound of Formula II a salt, hydrate, solvate, tautomer, enantiomer, racemate, diastereomer, or combination thereof. The compounds can be a matrix metalloproteinase (MMP) inhibitor. The compounds can also treat a matrix metalloproteinase mediated condition such as cancer.

  涉及到公式I的化合物的盐、水合物、溶剂化物、互变异构体、对映异构体、外消旋体、非对映异构体或其组合物。还涉及到公式II的化合物的盐、水合物、溶剂化物、互变异构体、对映异构体、外消旋体、非对映异构体或其组合物。这些化合物可以是基质金属蛋白酶（MMP）抑制剂。这些化合物也可以治疗基质金属蛋白酶介导的疾病，如癌症。
• COMPOUNDS AND METHOD FOR TREATMENT OF CANCER
  申请人：Danter Wayne R.

  公开号：US20080171744A1

  公开（公告）日：2008-07-17

  The present invention is directed to a compound of Formula I: and/or a pharmaceutically-acceptable salt, hydrate, solvate, tautomer, optical isomer, or combination thereof, a composition comprising the thiosemicarbazone, a method of administration thereof, and use thereof to treat a cancer.

  本发明涉及一种I式化合物：和/或其药学上可接受的盐、水合物、溶剂合物、互变异构体、光学异构体或其组合物，一种包含该硫脲半胱氨酸的组合物，一种其治疗癌症的给药方法以及使用该化合物的方法。
• Inhibitor Compounds and Cancer Treatment Methods
  申请人：Danter Wayne R.

  公开号：US20120195887A1

  公开（公告）日：2012-08-02

  A synergistically effective combination of an anti-cancer agent and a therapeutic compound, such as an mTOR-Rictor complex inhibitor, a Serine 473 phosphorylation inhibitor, an AKT2 inhibitor, or a combination thereof, for use in the treatment of cancer, and methods and uses thereof. Also included are methods and uses of a thiosemicarbazone for treating a cancer in a mammal in need thereof characterized by over-expression of RAS, by an EGFR mutation, and/or by over-expression of AKT2.

  一种协同作用有效的抗癌剂和治疗化合物的组合，例如mTOR-Rictor复合物抑制剂、丝氨酸473磷酸化抑制剂、AKT2抑制剂或其组合，用于治疗癌症，以及其方法和用途。还包括一种硫脲半胱氨酸衍生物的方法和用途，用于治疗需要治疗的哺乳动物中的癌症，其特征是RAS过表达，EGFR突变和/或AKT2过表达。
• NOVEL COLCHICINE DERIVATIVES, METHODS AND USES THEREOF
  申请人：Tuszynski Jack

  公开号：US20120225912A1

  公开（公告）日：2012-09-06

  The invention relates to colchicine derivatives, methods and uses thereof for treatment of cancer. In certain embodiments, the colchicine derivative comprises a compound of Formula I:

  本发明涉及秋水仙碱衍生物，其治疗癌症的方法和用途。在某些实施例中，秋水仙碱衍生物包括公式I的化合物：