N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide | 99454-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
• 英文别名: N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
• CAS: 99454-21-4
• 化学式: C₁₅H₁₁NO₄S
• 分子量: 301.3
• InChiKey: MLPSDBJCWIYSEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Tricyclic compounds, processes for their preparation, compositions containing such compounds and their use in medicine
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0150891A1

  公开（公告）日：1985-08-07

  Compounds of formula (I) wherein n is 0, 1 or 2; one of R1 and R2 is hydrogen and the other is selected from carbamoyl, N-C1-4 alkylcarbamoyl, N,N-di-C1-4 alkylcarbamoyl, carbamimidoyl, N1-C1-4 alkylcarbamimidoyl, N2-C1-4 alkylcarbamimidoyl, N1-C1-4 alkyl-N2-C1-4 alkylcarbamimidoyl, N1,N1-di-C1-4 alkylcarbamimidoyl, N1,N1-di-C1-4alkyl-N2-C1-4 alkvlcarbamimidoyl, tetrazol-5-yl (optionally substituted by one or more C1-4 alky' groups) and imidaxolin-2-yl optionally substituted by one or more C1-4 alkyl groups); and R3 is selected from hydrogen, saturated and unsaturated aliphatic hydrocarbon moieties containing from 1 to 4 carbon atoms, groups OR4 (where R4 is selected from hydrogen and saturated and unsaturated aliphatic hydrocarbon moieties containing from 1 to 4 carbon atoms), halo, groups of formula -NR5R6 (where R5 and R6 are independently selected from hydrogen, C1-4 alkyl and hydroxy C1-4 alkyl, provided that the total number of carbon atoms in R5 and R6 does not exceed 4), amino C1-4 alkylamino and morpholino, provided that when R1 is carbamoyl and R2 and R3 are both hydrogen, then n is 0 or 1; and physiologically acceptable salts thereof, and their pro-drugs and metabolites are inhibitors of monoamine oxidase-A and are useful in the prophylaxis and treatment of mental disorders such as depression.

  式(I)化合物 其中 n 为 0、1 或 2；R1 和 R2 中的一个为氢，另一个选自氨基甲酰基、N-C1-4 烷基氨基甲酰基、N,N-二-C1-4 烷基氨基甲酰基、氨基亚氨酰基、N1-C1-4 烷基氨基亚氨酰基、N2-C1-4 烷基氨基亚氨酰基、N1-C1-4 烷基-N2-C1-4 烷基氨基亚氨酰基、N1,N1-二-C1-4烷基氨基甲酰亚胺、N1,N1-二-C1-4烷基-N2-C1-4烷基氨基甲酰亚胺、四唑-5-基（可选择被一个或多个 C1-4 烷基取代）和咪唑啉-2-基（可选择被一个或多个 C1-4 烷基取代）；和 R3 选自氢、含 1 至 4 个碳原子的饱和及不饱和脂肪族烃基、OR4 基团（其中 R4 选自氢、含 1 至 4 个碳原子的饱和及不饱和脂肪族烃基）、卤素、式-NR5R6（其中 R5 和 R6 独立选自氢、C1-4 烷基和羟基 C1-4 烷基，条件是 R5 和 R6 中的碳原子总数不超过 4）、氨基 C1-4 烷基氨基和吗啉基，条件是当 R1 为氨基甲酰基且 R2 和 R3 均为氢时，则 n 为 0 或 1；及其生理上可接受的盐类，它们的原药和代谢物是单胺氧化酶-A 的抑制剂，可用于预防和治疗抑郁症等精神疾病。
• METHODS AND COMPOSITIONS FOR TREATING PAIN
  申请人：Apkarian Technologies LLC

  公开号：EP3946302A1

  公开（公告）日：2022-02-09
• US4623656A
  申请人：——

  公开号：US4623656A

  公开（公告）日：1986-11-18
• US4737514A
  申请人：——

  公开号：US4737514A

  公开（公告）日：1988-04-12
• [EN] METHODS AND COMPOSITIONS FOR TREATING PAIN<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR LE TRAITEMENT DE LA DOULEUR
  申请人：APKARIAN TECH LLC

  公开号：WO2020227646A1

  公开（公告）日：2020-11-12

  The present disclosure features combinations of dopaminergic agents and analgesic agents useful for treating pain. In particular, the combinations feature a low ratio of dopaminergic agent to analgesic agent. The dopaminergic agent can be an agonist of the dopamine receptor D1 -like family or the dopamine receptor D2-like family. Such combinations potentiate analgesia to 1) alleviate acute pain, 2) prevent the transition from acute pain to chronic pain, and 3) manage chronic pain.