((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-3-yl)methyl)sulfamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-3-yl)methyl)sulfamide
• 英文别名: ((3,4-dihydro-2H-benzo[1,4]dioxepin-3-yl)methyl)sulfamide；3-[(sulfamoylamino)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
• 化学式: C₁₀H₁₄N₂O₄S
• 分子量: 258.298
• InChiKey: YXPDUQAPPACYDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-methylene-3,4-dihydro-2H-benzo[b][1,4]dioxepine 在 硼烷四氢呋喃络合物 、 thionyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 ((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-3-yl)methyl)sulfamide
  参考文献：
  名称：

  Novel, Broad-Spectrum Anticonvulsants Containing a Sulfamide Group: Pharmacological Properties of (S)-N-[(6-Chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methyl]sulfamide (JNJ-26489112)

  摘要：

  Broad-spectrum anticonvulsants are of considerable interest as antiepileptic drugs, especially because of their potential for treating refractory patients. Such "neurostabilizers" have also been used to treat other neurological disorders, including migraine, bipolar disorder, and neuropathic pain. We synthesized a series of sulfamide derivatives (4-9, 10a-i, 11a, 11b, 12) and evaluated their anticonvulsant activity. Thus, we identified promising sulfamide 4 (JNJ-26489112) and explored its pharmacological properties. Compound 4 exhibited excellent anticonvulsant activity in rodents against audiogenic, electrically induced, and chemically induced seizures. Mechanistically, 4 inhibited voltage-gated Na+ channels and N-type Ca2+ channels and was effective as a K+ channel opener. The anticonvulsant profile of 4 suggests that it may be useful for treating multiple forms of epilepsy (generalized tonic-clonic, complex partial, absence seizures), including refractory (or pharmacoresistant) epilepsy, at dose levels that confer a good safety margin. On the basis of its pharmacology and other favorable characteristics, 4 was advanced into human clinical studies.

  DOI：

  10.1021/jm400894u

文献信息

• [EN] SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS<br/>[FR] DÉRIVÉS DE SULFAMATE ET DE SULFAMIDE POUR LE TRAITEMENT DE L'ÉPILEPSIE ET DE TROUBLES APPARENTÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006007435A1

  公开（公告）日：2006-01-19

  The present invention is directed to novel sulfamide and sulfamate derivatives, pharmaceutical composlons containing them and their use in the treatment of epilepsy and related disorders.

  本发明涉及新型磺胺酰胺和磺酸酯衍生物，包含它们的药物组合物以及它们在治疗癫痫和相关疾病中的用途。
• USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS
  申请人：Smith-Swintosky L. Virginia

  公开号：US20070155821A1

  公开（公告）日：2007-07-05

  The present invention is a method for the glucose related disorders and lipid related disorders comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-fused heterocycle sulfamide derivatives of formula (I) or formula (II) as herein defined. The present invention is further directed to methods of treatment comprising co-therapy with an anti-diabetic agent, and anti-lipid agent and/or an anti-obesity agent.

  本发明涉及一种治疗葡萄糖相关疾病和脂质相关疾病的方法，包括向需要的受试者施用一种或多种新型苯并杂环磺胺衍生物的治疗有效量，其化学结构如公式(I)或公式(II)所定义。本发明还涉及治疗方法，包括与抗糖尿病药物、抗脂质药物和/或抗肥胖药物联合治疗。
• USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION
  申请人：Smith-Swintosky L. Virginia

  公开号：US20070155827A1

  公开（公告）日：2007-07-05

  The present invention is a method for the treatment of depression comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-fused heterocycle sulfamide derivatives of formula (I) and formula (II) as herein defined. The present invention is directed to a method for the treatment of depression, which includes mono-therapy and alternatively, co-therapy with at least one antidepressant.

  本发明涉及一种治疗抑郁症的方法，包括向需要的受试者施用一种或多种新型苯并杂环磺酰胺衍生物的治疗有效量，其化学式为(I)和(II)。本发明涉及一种治疗抑郁症的方法，包括单独治疗和/或与至少一种抗抑郁药物联合治疗。
• USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN
  申请人：Smith-Swintosky L. Virginia

  公开号：US20070155822A1

  公开（公告）日：2007-07-05

  The present invention is a method for the treatment of pain comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-fused heterocycle sulfamide derivatives of formula (I) and formula (II) as described herein. The present invention is further directed to methods for the treatment of pain comprising co-therapy with analgesic agent(s) and a compound of formula (I) or formula (II) as described herein.

  本发明涉及一种用于治疗疼痛的方法，包括向需要的受试者施用一种或多种根据本文描述的新型苯并杂环磺酰胺衍生物的治疗有效量。本发明还涉及一种治疗疼痛的方法，包括与镇痛剂联合治疗，并根据本文描述的化合物的公式(I)或公式(II)。
• USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS
  申请人：Smith-Swintosky L. Virginia

  公开号：US20070155823A1

  公开（公告）日：2007-07-05

  The present invention is a methods for neuroprotection, for treating an acute neurodegenerative disorder, for treating a chronic neurodegenerative disorder and/or for preventing neuron death or damage following brain, head and/or spinal cord trauma or injury comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-fused heterocycle sulfamide derivatives of formula (I) and formula (II) as herein defined.

  本发明是一种神经保护方法，用于治疗急性神经退行性疾病，治疗慢性神经退行性疾病和/或预防脑部、头部和/或脊髓创伤或损伤后的神经元死亡或损伤，包括向需要的受试者施用本文定义的一种或多种新型苯并杂环磺酰胺衍生物的治疗有效量，其化学式为(I)和化学式(II)。