[[(3S,4S)-6-acetyl-4-[(3-chloro-4-fluorobenzoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl]oxy-diaminomethyl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [[(3S,4S)-6-acetyl-4-[(3-chloro-4-fluorobenzoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl]oxy-diaminomethyl] dihydrogen phosphate
• 化学式: C₂₁H₂₄ClFN₃O₈P
• 分子量: 531.9
• InChiKey: CZALGZLIHVUZLJ-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• Pro-drug Compounds
  申请人：Proximagen Limited

  公开号：US20140011773A1

  公开（公告）日：2014-01-09

  A compound of formula (I), or a pharmaceutically acceptable salt thereof: The compound is used in pharmaceutical compositions and in a method of treatment of a disease or medical condition which benefits from inhibition of gap junction activity by administering to a subject suffering from such disease or condition.

  公式(I)的化合物，或其药用可接受盐： 该化合物用于药物组合物中，以及在通过向患有此类疾病或病症的受试者给药来抑制缝隙连接活性的治疗方法中发挥作用。
• [EN] PRO-DRUG COMPOUNDS<br/>[FR] COMPOSÉS PROMÉDICAMENTS
  申请人：PROXIMAGEN LTD

  公开号：WO2014006407A1

  公开（公告）日：2014-01-09

  A compound of formula (I), or a pharmaceutically acceptable salt thereof: wherein Z1, Z2, and Z3, Q, R2, A, and R1 are as defined in the claims.

  翻译结果为：公式(I)的化合物，或其药用可接受的盐；其中Z1、Z2和Z3、Q、R2、A和R1如权利要求中所定义。
• [EN] TONABERSAT PRODRUGS<br/>[FR] PROMÉDICAMENTS DE TONABERSAT
  申请人：PROXIMAGEN LTD

  公开号：WO2015097463A1

  公开（公告）日：2015-07-02

  The invention relates to pharmaceutically active compounds having improved pharmacokinetic properties and being useful for the treatment or prevention of a range of conditions including migraine, epilepsy, non-epileptic seizures, brain injury (including stroke, intracranial haemorrhage and trauma induced) or cardiovascular diseases including myocardial infarction, coronary revascularization or angina. The compounds of the invention form a novel group of related prodrugs of formula (II), where Ar is a 3-chloro-4-fluorophenyl ring, a 3-chlorophenyl ring or a 4-fluorophenyl ring; and R is a hydrolysable group comprising an amino group or an acidic group.

  本发明涉及具有改善药代动力学特性的药物活性化合物，可用于治疗或预防多种疾病，包括偏头痛、癫痫、非癫痫性发作、脑损伤（包括中风、颅内出血和创伤引起的）或心血管疾病，包括心肌梗死、冠状动脉再血管化或心绞痛。本发明的化合物形成了一组新型相关的前药，其化学式为（II），其中Ar为3-氯-4-氟苯环、3-氯苯环或4-氟苯环；R为可水解基团，包括氨基或酸性基团。
• PRO-DRUG COMPOUNDS
  申请人：Proximagen Limited

  公开号：US20150322034A1

  公开（公告）日：2015-11-12

  A compound of formula (I), or a pharmaceutically acceptable salt thereof: wherein Z 1 , Z 2 , and Z 3 , Q, R 2 , A, and R 1 are as defined in the claims.

  公式（I）的化合物或其药学上可接受的盐：其中Z1，Z2和Z3，Q，R2，A和R1如权利要求中所定义。
• TONABERSAT PRODRUGS
  申请人：Proximagen Limited

  公开号：EP3087063A1

  公开（公告）日：2016-11-02