(1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: (1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
• 化学式: C₃₀H₃₁FN₄O₃
• 分子量: 514.6
• InChiKey: FUHCEERDBRGPQZ-LBNVMWSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.8
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：Institut du Cerveau et de la Moelle Épinière-ICM

  公开号：EP3323415A1

  公开（公告）日：2018-05-23

  The present invention relates to an agonist of the receptor of 1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid for the treatment of neurodegenerative disorders.

  本发明涉及一种 1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-氨基嘌呤-9-基)-3-羟基-4-磷酰氧基氧杂戊环-2-基]甲氧基-羟基磷酰]氧甲基]-3、4-二羟基氧杂戊环-2-基]吡啶-1-鎓-3-羧酸，用于治疗神经退行性疾病。
• Use of cADPR or NAADP antagonists
  申请人：Industrial Cooperation Foundation Chonbuk National University

  公开号：US11071748B2

  公开（公告）日：2021-07-27

  When using a pharmaceutical composition for preventing or treating malignant hyperthermia, containing NAADP antagonists, of the present invention, malignant hyperthermia can be effectively prevented or treated through the inhibition of an oxygen consumption rate abnormal increase, which is associated with a ryanodine receptor (RYR) of skeletal muscles. In addition, the present invention can be used even after the onset of malignant hyperthermia and can inhibit an oxygen consumption rate abnormal increase even at concentrations lower than those of conventional agents for treating malignant hyperthermia, thereby enabling conventional agents for treating malignant hyperthermia to be replaced, and can be stably used, thereby being effectively usable in relevant industries. Furthermore, when using a skin regenerating composition, containing cADPR or NAADP antagonists, of the present invention, the skin can be protected from skin cell damage caused by UV-B of ultraviolet rays, and the skin regenerating composition has an excellent ability to recover and regenerate damaged skin and has no side effects on the same, thereby being usable in various forms such as a skin external preparation, a pharmaceutical composition, a cosmetic composition, and a food composition.

  使用本发明的含有NAADP拮抗剂的预防或治疗恶性高热的药物组合物时，可通过抑制耗氧率异常升高有效预防或治疗恶性高热，耗氧率异常升高与骨骼肌的雷诺丁受体（RYR）有关。此外，本发明即使在恶性高热症发病后也可使用，并且即使浓度低于治疗恶性高热症的传统制剂，也能抑制耗氧率异常升高，从而可取代治疗恶性高热症的传统制剂，并可稳定使用，因此可有效用于相关行业。此外，在使用本发明的含有 cADPR 或 NAADP 拮抗剂的皮肤再生组合物时，可以保护皮肤免受紫外线中的 UV-B 所造成的皮肤细胞损伤，并且该皮肤再生组合物具有出色的恢复和再生受损皮肤的能力，并且对其没有副作用，因此可用于皮肤外用制剂、药物组合物、化妆品组合物和食品组合物等各种形式。
• USE OF cADPR OR NAADP ANTAGONISTS
  申请人：Industrial Cooperation Foundation Chonbuk National University

  公开号：US20200046750A1

  公开（公告）日：2020-02-13

  When using a pharmaceutical composition for preventing or treating malignant hyperthermia, containing NAADP antagonists, of the present invention, malignant hyperthermia can be effectively prevented or treated through the inhibition of an oxygen consumption rate abnormal increase, which is associated with a ryanodine receptor (RYR) of skeletal muscles. In addition, the present invention can be used even after the onset of malignant hyperthermia and can inhibit an oxygen consumption rate abnormal increase even at concentrations lower than those of conventional agents for treating malignant hyperthermia, thereby enabling conventional agents for treating malignant hyperthermia to be replaced, and can be stably used, thereby being effectively usable in relevant industries. Furthermore, when using a skin regenerating composition, containing cADPR or NAADP antagonists, of the present invention, the skin can be protected from skin cell damage caused by UV-B of ultraviolet rays, and the skin regenerating composition has an excellent ability to recover and regenerate damaged skin and has no side effects on the same, thereby being usable in various forms such as a skin external preparation, a pharmaceutical composition, a cosmetic composition, and a food composition.