N-(3,5-dichlorophenyl)benzensulfonamide | 54129-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3,5-dichlorophenyl)benzensulfonamide
• 英文别名: benzenesulfonic acid-(3,5-dichloro-anilide)；Benzolsulfonsaeure-(3,5-dichlor-anilid)；N-(3,5-dichlorophenyl)benzenesulfonamide
• CAS: 54129-15-6
• 化学式: C₁₂H₉Cl₂NO₂S
• mdl: MFCD01212617
• 分子量: 302.181
• InChiKey: HMKZVAZQKOKXRZ-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO: 50mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3,5-dichlorophenyl)benzensulfonamide 在 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 ethyl 4-(N-(3,5-dichlorophenyl)phenylsulfonamido)-3-oxobutanoate
  参考文献：
  名称：

  Arylazanylpyrazolone Derivatives as Inhibitors of Mutant Superoxide Dismutase 1 Dependent Protein Aggregation for the Treatment of Amyotrophic Lateral Sclerosis

  摘要：

  The arylsulfanylpyrazolone and aryloxanylpyrazolone scaffolds previously were reported to inhibit Cu/Zn superoxide dismutase 1 dependent protein aggregation and to extend survival in the ALS mouse model. However, further evaluation of these compounds indicated weak pharmacokinetic properties and a relatively low maximum tolerated dose. On the basis of an ADME analysis, a new series of compounds, the arylazanylpyrazolones, has been synthesized, and structure-activity relationships were determined. The SAR results showed that the pyrazolone ring is critical to cellular protection. The NMR, IR, and computational analyses suggest that phenol-type tautomers of the pyrazolone ring are the active pharmacophore with the arylazanylpyrazolone analogues. A comparison of experimental and calculated IR spectra is shown to be a valuable method to identify the predominant tautomer.

  DOI：

  10.1021/jm400079a
• 作为产物：
  描述：

  苯磺酰氯 、 3,5-二氯苯胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以51%的产率得到N-(3,5-dichlorophenyl)benzensulfonamide
  参考文献：
  名称：

  [EN] TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS
  [FR] TRAITEMENT DE LA SCLÉROSE LATÉRALE AMYOTROPHIQUE

  摘要：

  公开号：

  WO2010059241A3

文献信息

• NEW INHIBITORS OF BONE RESORPTION
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS)

  公开号：EP3553061A1

  公开（公告）日：2019-10-16

  The invention relates to a compound of formula (I): and its use as drug, in particular for use in prevention and/or treatment of disease-associated bone loss, preferably selected in the group consisting of bone metastases, multiple myeloma, osteoporosis, osteopenia due to bone metastases, osteogenesis imperfecta, periarticular erosions in rheumatoid arthritis, primary hyperparathyroidism, hypercalcemia of malignancy, Paget's disease of bone, periodontal disease, immobilization induced osteopenia, and glucocorticoid treatment.

  该发明涉及一种化合物，化学式为(I)，以及其作为药物的用途，特别是用于预防和/或治疗与疾病相关的骨质流失，优选选择在骨转移、多发性骨髓瘤、骨质疏松症、由骨转移引起的骨质疏松症、遗传性骨质疏松症、风湿性关节炎中的关节周围侵蚀、原发性甲状旁腺功能亢进症、恶性高钙血症、帕吉特病、牙周病、固定性骨质疏松症和糖皮质激素治疗等疾病中的应用。
• TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS
  申请人：Kirsch Donald R.

  公开号：US20110237907A1

  公开（公告）日：2011-09-29

  The present invention relates to the identification of compounds and pharmaceutical compositions thereof for treating subjects with amyotrophic lateral sclerosis (ALS) and other neurodegenerative diseases. The invention also provides methods of preparing the provided compounds.

  本发明涉及识别用于治疗肌萎缩侧索硬化症（ALS）和其他神经退行性疾病的化合物和药物组合物，还提供了制备所述化合物的方法。
• Treatment of Amyotrophic Lateral Sclerosis
  申请人：Northwestern University

  公开号：US20150018388A1

  公开（公告）日：2015-01-15

  The present invention relates to the identification of compounds and pharmaceutical compositions thereof for treating subjects with amyotrophic lateral sclerosis (ALS) and other neurodegenerative diseases. The invention also provides methods of preparing the provided compounds.

  本发明涉及识别化合物和制药组合物，用于治疗患有肌萎缩侧索硬化症（ALS）和其他神经退行性疾病的患者。本发明还提供了制备所提供化合物的方法。
• Treatment of amyotrophic lateral sclerosis
  申请人：Northwestern University

  公开号：US09145424B2

  公开（公告）日：2015-09-29

  The present invention relates to the identification of compounds and pharmaceutical compositions thereof for treating subjects with amyotrophic lateral sclerosis (ALS) and other neurodegenerative diseases. The invention also provides methods of preparing the provided compounds.

  本发明涉及识别化合物和制备药物组合物，用于治疗患有肌萎缩侧索硬化（ALS）和其他神经退行性疾病的患者。本发明还提供了制备所提供的化合物的方法。
• [EN] TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS<br/>[FR] TRAITEMENT DE LA SCLÉROSE LATÉRALE AMYOTROPHIQUE
  申请人：CAMBRIA PHARMACEUTICALS INC

  公开号：WO2010059241A3

  公开（公告）日：2010-09-16