4-Methylbenzene-1-sulfonic acid--(2R)-pent-4-en-2-ol (1/1) | 634902-49-1

• 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: 4-Methylbenzene-1-sulfonic acid--(2R)-pent-4-en-2-ol (1/1)
• 英文别名: 4-methylbenzenesulfonic acid;(2R)-pent-4-en-2-ol
• CAS: 634902-49-1
• 化学式: C12H18O4S
• 分子量: 258.34
• InChiKey: VJECGMNULOFYOR-QDXATWJZSA-N

物化性质

• 沸点：
  344.4±21.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Novel Salt Forms Of (2S)-(4E)-N-Methyl-5-[3-(5-Isopropoxypyridin)yl]-4-Penten 2-Amine
  申请人：Bohlin Martin Hans

  公开号：US20100249196A1

  公开（公告）日：2010-09-30

  Phosphoric acid, edisylic acid (1,2-ethanedisulfonic acid), citric acid, orotic acid (uracil-6-carboxylic acid), R-mandelic acid, sulfuric acid, 1,5-naphthalenedisulfonic acid, D-aspartic acid, and lysine monohydrochloride salts of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine, and methods for their preparation, pharmaceutical compositions comprising said salts, and use, are disclosed. The salts can be administered to patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, to treat and/or prevent such disorders.

  磷酸，乙二酰基硫酸（1,2-乙烷二磺酸），柠檬酸，尿嘧啶酸（尿嘧啶-6-羧酸），R-苯乙酸，硫酸，1,5-萘二磺酸，D-天冬氨酸和（2S）-（4E）-N-甲基-5-[3-（5-异丙氧基吡啶）基]-4-戊烯-2-胺的赖氨酸单盐，其制备方法，包括所述盐的制药组合物和用途的披露。这些盐可以用于治疗和/或预防患有中枢神经系统疾病的患者。
• Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine
  申请人：AstraZeneca AB

  公开号：EP2133337A1

  公开（公告）日：2009-12-16

  Citric acid and D-aspartic acid salts of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine, and methods for their preparation, pharmaceutical compositions comprising said salts, and use, are disclosed. The salts can be administered to patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, to treat and/or prevent such disorders.

  本发明公开了(2S)-(4E)-N-甲基-5-[3-(5-异丙氧基吡啶)基]-4-戊烯-2-胺的柠檬酸盐和D-天冬氨酸盐及其制备方法、包含所述盐类的药物组合物和用途。这些盐类可用于易患或患有中枢神经系统疾病等病症的患者，以治疗和/或预防此类疾病。
• Polymorph forms of (2S) - (4E) -N-methyl-5- (3-isopropoxypyridin) yl]-4-penten-2-amine for the treatment of central nervous system disorders
  申请人：Targacept, Inc.

  公开号：EP2418201A1

  公开（公告）日：2012-02-15

  Polymorph forms of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine p-hydroxybenzoate, and methods for their preparation, pharmaceutical composition containing said polymorph(s) and use, are disclosed. The polymorphs can be administered to patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, to treat and/or prevent such disorders.

  本发明公开了(2S)-(4E)-N-甲基-5-[3-(5-异丙氧基吡啶)基]-4-戊烯-2-胺对羟基苯甲酸盐的多晶型，以及其制备方法、含有所述多晶型的药物组合物和用途。这些多晶型物可用于易患或患有中枢神经系统疾病等病症的患者，以治疗和/或预防此类疾病。
• POLYMORPH FORMS OF (2S) - (4E) -N-METHYL-5- (3-ISOPROPOXYPYRIDIN) YL]-4-PENTEN-2-AMINE FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS
  申请人：Targacept, Inc.

  公开号：EP2021326A1

  公开（公告）日：2009-02-11
• SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE
  申请人：AstraZeneca AB

  公开号：EP2021325A2

  公开（公告）日：2009-02-11