O-methyl 4-(dimethylamino)-4-methylpent-2-ynethioate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: O-methyl 4-(dimethylamino)-4-methylpent-2-ynethioate
• 化学式: C₉H₁₅NOS
• 分子量: 185.29
• InChiKey: GQIHYVGGLFYXGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• AMINOTHIOLESTER COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, FOR USE IN THE TREATMENT OF CANCER
  申请人：Advanced Biodesign

  公开号：EP3362056A1

  公开（公告）日：2018-08-22
• COMBINATION COMPRISING AN AMINOTHIOLESTER COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND A COMPOUND ABLE TO INCREASE THE H2O2 LEVEL IN CANCER CELLS OF A SUBJECT
  申请人：Advanced Biodesign

  公开号：EP3362094A1

  公开（公告）日：2018-08-22
• [EN] COMBINATION COMPRISING AN AMINOTHIOLESTER COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND A COMPOUND ABLE TO INCREASE THE H2O2 LEVEL IN CANCER CELLS OF A SUBJECT<br/>[FR] COMBINAISON COMPRENANT UN COMPOSÉ AMINOTHIOLESTER OU UN SEL PHARMACEUTIQUEMENT ACCEPTABLE DE CELUI-CI ET UN COMPOSÉ CAPABLE D'AUGMENTER LE TAUX DE H2O2 DANS DES CELLULES CANCÉREUSES D'UN SUJET
  申请人：ADVANCED BIODESIGN

  公开号：WO2017064241A1

  公开（公告）日：2017-04-20

  Combination comprising an aminothiolester compound or a pharmaceutically acceptable salt thereof and a compound able to increase the H 2 0 2 level in cancer cells of a subject, for use as a medicament The present invention relates to a combination comprising an aminothiolester compound or a pharmaceutically acceptable salt thereof, in particular the S-methyl 4-(dimethylamino)-4-methylpent-2-ynethioate or a pharmaceutically acceptable salt thereof, and more particularly the 4-(Dimethylamino)-4-methyl-2-pentynethioic acid S-methyl ester fumarate, and a compound able to increase H 2 0 2 level in cancer cells of a subject, in particular for use for the treatment of cancer in a subject, wherein cancer cells of said subject do not overproduce H 2 0 2 in comparison to a control value and have a level of GSH below 5 nmol for 25000 cells.
• [EN] AMINOTHIOLESTER COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS D'AMINOTHIOLESTERS OU SELS DE QUALITÉ PHARMACEUTIQUE DE CEUX-CI POUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ADVANCED BIODESIGN

  公开号：WO2017064247A1

  公开（公告）日：2017-04-20

  The present invention relates to the treatment of cancer in a subject, wherein cancer cells of said subject overproduce H 2 0 2 and have a level of GSH below 0,5 nmol for 25 000 cells, with aminothiolester compounds or pharmaceutically acceptable salts thereof, in particular with S-methyl 4-(dimethylamino)-4-methylpent-2-ynethioate or a pharmaceutically acceptable salt thereof, more particularly with 4-(Dimethylamino)-4-methyl-2-pentynethioic acid S-methyl ester fumarate. It also relates to a method for selecting a subject suffering from a cancer and who will most likely benefit from a treatment with aminothiolester compounds or pharmaceutically acceptable salts thereof, in particular with S-methyl 4-(dimethylamino)-4-methylpent-2-ynethioate or a pharmaceutically acceptable salt thereof, more particularly with 4-(Dimethylamino)-4-methyl-2-pentynethioic acid S-methyl ester fumarate.