2-(甲基氨基)-2-苯基丁基3,4,5-三甲氧基苯甲酸 | 84333-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(甲基氨基)-2-苯基丁基3,4,5-三甲氧基苯甲酸
• 中文别名: N-去甲盐酸曲美布汀；氮位N-去甲基盐酸三甲丁酯
• 英文名称: Nortrimebutine
• 英文别名: methylamino-2-phenyl-2-n-butyl-3,4,5-trimethoxybenzoate；(2-methylamino-2-phenylbutyl) 3,4,5-trimethoxybenzoate；N-monodesmethyltrimebutine；N-desmethyl trimebutine；N-desmethyltrimebutine；desmethyl-trimebutine；Benzoic acid, 3,4,5-trimethoxy-, 2-(methylamino)-2-phenylbutyl ester；[2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
• CAS: 84333-59-5
• 化学式: C₂₁H₂₇NO₅
• 分子量: 373.449
• InChiKey: ZFPDLGDYDUPYEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  467.4±34.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-乙基-2-苯基甘氨酸乙酯 在 lithium aluminium tetrahydride 、 正丁基锂 、 乙酸酐 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 24.0h， 生成 2-(甲基氨基)-2-苯基丁基3,4,5-三甲氧基苯甲酸
  参考文献：
  名称：

  Martin, Arnaud; Figadere, Bruno; Saivin, Sylvie, Arzneimittel-Forschung/Drug Research, 2000, vol. 50, # 6, p. 544 - 549

  摘要：

  DOI：

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DU SYNDROME DU CÔLON IRRITABLE
  申请人：CELLIX BIO PRIVATE LTD

  公开号：WO2018029545A1

  公开（公告）日：2018-02-15

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI, formula VII, formula VIII, formula IX, formula X, formula XI, formula XII, formula XIII, formula XIV and formula XV or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, suppository, transdermal, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of irritable bowel syndrome (IBS), inflammatory bowel diseases or its associated complications.

  本公开提供化合物的公式I、公式II、公式III、公式IV、公式V、公式VI、公式VII、公式VIII、公式IX、公式X、公式XI、公式XII、公式XIII、公式XIV和公式XV，或其药用可接受盐，以及其多型、对映体、立体异构体、溶剂合物和水合物。这些盐可以制成药物组合物。药物组合物可以制成口服、栓剂、经皮、颊部、直肠、局部、经皮、经粘膜、静脉、全身、糖浆或注射用药物。这些组合物可用于治疗肠易激综合征（IBS）、炎症性肠病或其相关并发症。
• SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE
  申请人：WALLACE L. JOHN

  公开号：US20070275905A1

  公开（公告）日：2007-11-29

  Unique salts of trimebutine and N-monodesmethyl trimebutine, and their corresponding stereoisomers, having improved analgesic properties useful in the treatment of visceral pain are provided. The salts of the present invention are particularly useful in the treatment of conditions characterized by abdominal pain, such as inflammatory bowel disease (IBD) and irritable bowel syndrome (IBS), diabetic gastroparesis, and dyspepsia.

  本发明提供了三甲叉胺和N-单去甲基三甲叉胺的独特盐及其对应的立体异构体，具有改善的镇痛特性，可用于治疗内脏疼痛。本发明的盐尤其适用于治疗腹部疼痛症状，例如炎症性肠病（IBD）和肠易激综合征（IBS）、糖尿病性胃轻瘫和消化不良等。
• Salts of trimebutine and N-desmethyl trimebutine
  申请人：Antibe Therapeutics Inc.

  公开号：US07666907B2

  公开（公告）日：2010-02-23

  Unique salts of trimebutine and N-monodesmethyl trimebutine, and their corresponding stereoisomers, having improved analgesic properties useful in the treatment of visceral pain are provided. The salts of the present invention are particularly useful in the treatment of conditions characterized by abdominal pain, such as inflammatory bowel disease (IBD) and irritable bowel syndrome (IBS), diabetic gastroparesis, and dyspepsia.

  本发明提供了三甲叉胺和N-去甲基三甲叉胺的独特盐以及它们相应的立体异构体，这些盐具有改善的镇痛特性，可用于治疗内脏疼痛。本发明的盐在治疗腹痛等以腹部疼痛为特征的疾病方面特别有用，例如炎症性肠病（IBD）和肠易激综合征（IBS）、糖尿病性胃轻瘫和消化不良。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME
  申请人：Cellix Bio Private Limited

  公开号：US20220162156A1

  公开（公告）日：2022-05-26

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI, formula VII, formula VIII, formula IX, formula X, formula XI, formula XII, formula XIII, formula XIV and formula XV or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, suppository, transdermal, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of irritable bowel syndrome (IBS), inflammatory bowel diseases or its associated complications.
• US7666907B2
  申请人：——

  公开号：US7666907B2

  公开（公告）日：2010-02-23