methyl 4-butoxy-3,5-dimethylbenzoate

• 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: methyl 4-butoxy-3,5-dimethylbenzoate
• 英文别名: Methyl 4-butoxy-3,5-dimethylbenzoate
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: NIDJBAWSPVDZBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-butoxy-3,5-dimethylbenzoate 在 甲醇 、 potassium hydroxide 作用下， 反应 2.0h， 以46%的产率得到4-butyloxy-3,5-dimethylbenzoic acid
  参考文献：
  名称：

  NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF

  摘要：

  揭示了一种新的苯甲酰胺衍生物及其药用，更具体地说，一种具有化学式1结构或其药用盐的新苯甲酰胺衍生物，以及包括上述材料的用于预防或治疗疼痛或瘙痒的组合物。根据本发明，所述新的苯甲酰胺衍生物及其药用盐表现出优异的镇痛效果，特别是在不仅神经病理动物模型中而且其他模型如福尔马林模型中表现出的镇痛效果，因此，可用于抑制不同类型的疼痛，如伤害性疼痛、慢性疼痛等。此外，由于证明了本发明在瘙痒模型中显示出抗瘙痒功效，应用于疼痛方面建立的机制和治疗概念，因此，本发明还可通过将创新产品应用于抗瘙痒组合物中，以抑制初始瘙痒阶段并治疗其症状，从而预防刮痒阶段后的皮肤损伤或炎症。

  公开号：

  US20140336378A1
• 作为产物：
  描述：

  正溴丁烷 、 4-羟基-3,5-二甲基苯甲酸甲酯 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以93%的产率得到methyl 4-butoxy-3,5-dimethylbenzoate
  参考文献：
  名称：

  NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF

  摘要：

  揭示了一种新的苯甲酰胺衍生物及其药用，更具体地说，一种具有化学式1结构或其药用盐的新苯甲酰胺衍生物，以及包括上述材料的用于预防或治疗疼痛或瘙痒的组合物。根据本发明，所述新的苯甲酰胺衍生物及其药用盐表现出优异的镇痛效果，特别是在不仅神经病理动物模型中而且其他模型如福尔马林模型中表现出的镇痛效果，因此，可用于抑制不同类型的疼痛，如伤害性疼痛、慢性疼痛等。此外，由于证明了本发明在瘙痒模型中显示出抗瘙痒功效，应用于疼痛方面建立的机制和治疗概念，因此，本发明还可通过将创新产品应用于抗瘙痒组合物中，以抑制初始瘙痒阶段并治疗其症状，从而预防刮痒阶段后的皮肤损伤或炎症。

  公开号：

  US20140336378A1

文献信息

• Benzamide derivative and use thereof
  申请人：VIVOZON, INC.

  公开号：US09359346B2

  公开（公告）日：2016-06-07

  Disclosed are a novel benzamide derivative and pharmaceutical use thereof, and more particularly, a novel benzamide derivative having a structure of Formula 1 or pharmaceutically acceptable salts thereof, and a composition for prevention or treatment of pain or itching including the above material. The novel benzamide derivative and pharmaceutically acceptable salt thereof according to the present invention exhibit excellent pain-suppressive effect and, in particular, pain-suppressive effect in not only a neuropathic animal model but also other models such as a formalin model, and therefore, may be used in suppression of different pains such as nociceptive pain, chronic pain, etc. Further, since it was demonstrated that the present invention displays anti-pruritic efficacy even in an itching model, to which a mechanism and treatment concept established with respect to pain is applied, the present invention may also be effectively used in radical treatment of atopic dermatitis by applying the inventive product to an anti-pruritic composition in order to suppress an initial itching stage and treat symptoms thereof, thus preventing skin damage or inflammation after the scratching stage.

  本发明涉及一种新的苯甲酰胺衍生物及其药物用途，更具体地说，涉及一种具有式1结构或其药学上可接受的盐的新的苯甲酰胺衍生物，以及包括上述物质的用于预防或治疗疼痛或瘙痒的组合物。本发明的新型苯甲酰胺衍生物和药学上可接受的盐在疼痛抑制方面表现出优异的效果，特别是在神经病理动物模型和其他模型（如福尔马林模型）中表现出疼痛抑制效果，因此可以用于抑制不同类型的疼痛，如伤害性疼痛、慢性疼痛等。此外，由于本发明在瘙痒模型中展示了抗瘙痒功效，应用于疼痛的机制和治疗理念，因此本发明可有效用于通过将该发明产品应用于抗瘙痒组合物以抑制初始瘙痒阶段并治疗其症状，从而预防刮擦阶段后的皮肤损伤或炎症，对于特应性皮炎的根治治疗。
• US9359346B2
  申请人：——

  公开号：US9359346B2

  公开（公告）日：2016-06-07
• [EN] NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF<br/>[FR] NOUVEAU DÉRIVÉ DE BENZAMIDE ET SON UTILISATION
  申请人：VIVOZON INC

  公开号：WO2013081400A2

  公开（公告）日：2013-06-06

  본 발명은 신규한 벤즈아마이드 유도체 및 이의 약제학적 용도에 관한 것으로, 보다 상세하게는 화학식 1의 구조식을 가지는 신규한 벤즈아마이드 유도체 또는 이의 약학적으로 허용 가능한 염과, 이를 포함하는 통증 또는 소양증의 예방 또는 치료용 조성물에 관한 것이다. 본 발명에 따른 신규 벤즈아마이드 유도체 및 이의 약학적으로 허용 가능한 염은 우수한 통증 억제 효과를 나타내며, 신경병증성 동물모델 뿐만 아니라, 포르말린 모델과 같은 기타 통증 유발 모델에서도 통증 억제 효과를 나타내어 침해성 통증, 만성통증 등 다양한 통증의 억제를 위하여 활용될 수 있다. 아울러, 통증에서 확립된 기전과 치료 개념이 적용되고 있는 가려움증 모델에 대해서도 항소양 효능을 가짐이 확인된바, 항소양증 조성물로서 초기 가려움 단계를 억제, 치료하여 긁기 단계 이후의 피부 손상이나 염증반응을 막아 아토피의 근본적인 치료에 활용될 수 있어 유용하다.
• NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF
  申请人：VIVOZON, INC.

  公开号：US20140336378A1

  公开（公告）日：2014-11-13

  Disclosed are a novel benzamide derivative and pharmaceutical use thereof, and more particularly, a novel benzamide derivative having a structure of Formula 1 or pharmaceutically acceptable salts thereof, and a composition for prevention or treatment of pain or itching including the above material. The novel benzamide derivative and pharmaceutically acceptable salt thereof according to the present invention exhibit excellent pain-suppressive effect and, in particular, pain-suppressive effect in not only a neuropathic animal model but also other models such as a formalin model, and therefore, may be used in suppression of different pains such as nociceptive pain, chronic pain, etc. Further, since it was demonstrated that the present invention displays anti-pruritic efficacy even in an itching model, to which a mechanism and treatment concept established with respect to pain is applied, the present invention may also be effectively used in radical treatment of atopic dermatitis by applying the inventive product to an anti-pruritic composition in order to suppress an initial itching stage and treat symptoms thereof, thus preventing skin damage or inflammation after the scratching stage.

  揭示了一种新的苯甲酰胺衍生物及其药用，更具体地说，一种具有化学式1结构或其药用盐的新苯甲酰胺衍生物，以及包括上述材料的用于预防或治疗疼痛或瘙痒的组合物。根据本发明，所述新的苯甲酰胺衍生物及其药用盐表现出优异的镇痛效果，特别是在不仅神经病理动物模型中而且其他模型如福尔马林模型中表现出的镇痛效果，因此，可用于抑制不同类型的疼痛，如伤害性疼痛、慢性疼痛等。此外，由于证明了本发明在瘙痒模型中显示出抗瘙痒功效，应用于疼痛方面建立的机制和治疗概念，因此，本发明还可通过将创新产品应用于抗瘙痒组合物中，以抑制初始瘙痒阶段并治疗其症状，从而预防刮痒阶段后的皮肤损伤或炎症。