(3-Dimethylamino-7-methylamino-phenothiazin-10-yl)-phenyl-methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: (3-Dimethylamino-7-methylamino-phenothiazin-10-yl)-phenyl-methanone
• 英文别名: [3-(Dimethylamino)-7-(methylamino)phenothiazin-10-yl]-phenylmethanone；[3-(dimethylamino)-7-(methylamino)phenothiazin-10-yl]-phenylmethanone
• 化学式: C₂₂H₂₁N₃OS
• 分子量: 375.494
• InChiKey: KIXUMJYEWHISIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Process for Preparing Diaminophenothiazinium Compounds
  申请人：Provence Technologies

  公开号：US20140235854A1

  公开（公告）日：2014-08-21

  Process for preparing compounds of the diaminophenothiazinium type of formula (II) below. The products have a high degree of purity and are useful for the preparation of medicaments. In which the R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 groups having the same definition as in formula (I), and R representing a group chosen from: a phenyl or benzyl group, optionally substituted with one or more functions chosen from: a C 1 -C 4 alkyl, a halogen atom, a C 1 -C 4 haloalkyl and a nitro group, a linear, branched or cyclic C 1 -C 8 alkyl group, a C 1 -C 8 alkylamino group, a C 1 -C 8 alkoxy group, a phenyloxy or benzyloxy group optionally substituted on the aromatic nucleus with one or more functions chosen from: a C 1 -C 4 alkyl, a halogen atom, a C 1 -C 4 haloalkyl and a nitro group, Z representing an atom chosen from O and S.

  制备二氨基苯并噻唑型化合物的过程如下式（II）。所得产物具有高度纯度，适用于制备药物。其中，R1、R2、R3、R4、R5、R6、R7、R8、R9和R10基的定义与式（I）相同，R代表从以下选取的基团：苯基或苄基，可选择一个或多个官能团进行取代，所选官能团包括C1-C4烷基、卤素原子、C1-C4卤代烷基和硝基；线性、支链或环状C1-C8烷基；C1-C8烷基氨基；C1-C8烷氧基；苯氧基或苄氧基，可选择一个或多个在芳香核上的官能团进行取代，所选官能团包括C1-C4烷基、卤素原子、C1-C4卤代烷基和硝基；Z代表从O和S中选取的一个原子。
• US9227945B2
  申请人：——

  公开号：US9227945B2

  公开（公告）日：2016-01-05
• [EN] TARGETING MB2 OF THE MYC ONCOGENE AND ITS INTERACTION WITH TRRAP IN CANCER<br/>[FR] CIBLAGE DE MB2 DE L'ONCOGÈNE MYC ET SON INTERACTION AVEC TRRAP DANS LE CANCER
  申请人：DARTMOUTH COLLEGE

  公开号：WO2021113347A1

  公开（公告）日：2021-06-10

  Provided are methods and compositions for identifying inhibitors of an interaction between the oncogenic transcription factor MYC and its cofactor TRRAP. The methods involve both cell-based and in vitro approaches for probing an interaction between MYC and TRRAP and for identifying inhibitors of a MYC-TRRAP interaction. Also provided are compounds for use as inhibitors of an interaction between MYC and TRRAP, and methods for developing a cancer therapeutic from such compounds, including methods for derivatizing such inhibitors and for testing the inhibitors and derivatized inhibitors for an ability to treat cancer in a subject. The methods, compounds, and compositions provided herein can provide various advantages, such as a means to target the oncogenic transcription factor MYC in cancer.