4-{[bis(3-methylbutyl)amino]methyl}-N2-(3-piperidin-1-ylpropyl)benzene-1,2-diamine | 852803-41-9

• 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-{[bis(3-methylbutyl)amino]methyl}-N2-(3-piperidin-1-ylpropyl)benzene-1,2-diamine
• 英文别名: 4-[[bis(3-methylbutyl)amino]methyl]-2-N-(3-piperidin-1-ylpropyl)benzene-1,2-diamine
• CAS: 852803-41-9
• 化学式: C₂₅H₄₆N₄
• 分子量: 402.667
• InChiKey: NWWHUSMOKNLQRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  44.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-{[bis(3-methylbutyl)amino]methyl}-N2-(3-piperidin-1-ylpropyl)benzene-1,2-diamine 、 甲基-2-异硫代氰基噻吩-3-羧酸盐 在 sulfur mercury(II) oxide 、 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 16.0h， 生成 8-{[bis(3-methylbutyl)amino]methyl}-10-(3-piperidin-1-ylpropyl)thieno[2',3':4,5]pyrimido[1,2-a]benzimidazol-4(10H)-one dihydrochloride
  参考文献：
  名称：

  Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors

  摘要：

  本发明涉及新型嘧啶并苯并咪唑衍生物。该产品对某些黑色素细胞激素受体亚型，特别是MC4受体具有良好的亲和力。该产品对治疗与一个或多个黑色素细胞激素受体相关的病理性疾病具有特殊的兴趣。本发明还公开了含有该产品的药物组合物及其用于制药的用途。

  公开号：

  US20090209531A1
• 作为产物：
  描述：

  N,N-bis(3-methylbutyl)-4-nitro-3-[(3-piperidin-1-ylpropyl)amino]benzamide 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以85%的产率得到4-{[bis(3-methylbutyl)amino]methyl}-N2-(3-piperidin-1-ylpropyl)benzene-1,2-diamine
  参考文献：
  名称：

  Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament

  摘要：

  本发明涉及具有通式（I）的新型苯并咪唑和咪唑吡啶衍生物，其与某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。所述衍生物特别适用于治疗涉及一个或多个黑色素皮质素受体的病理状态和疾病。本发明还涉及含有该产品的制药组合物。

  公开号：

  US20060281784A1

文献信息

• Pyrimido-benzimidazole derivatives and the use thereof in the form of agonists and antagonists of melanocortin receptors
  申请人：Ipsen Pharma S.A.S.

  公开号：US07763725B2

  公开（公告）日：2010-07-27

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  本发明涉及新型嘧啶并苯并咪唑衍生物。所述产品对某些黑色素皮质素受体亚型，特别是MC4受体具有良好的亲和力。该产品对治疗与一个或多个黑色素皮质素受体相关的病理性疾病具有特殊的兴趣。本发明还公开了含有所述产品的制药组合物及其用于制药的用途。
• Pyrimido-benzimidzole derivatives and the use thereof in the form of agonists or antagonists of melanocortin receptors
  申请人：Ipsen Pharma S.A.S.

  公开号：US08288395B2

  公开（公告）日：2012-10-16

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  本发明涉及新型嘧啶并苯并咪唑衍生物。该产品对某些黑色素皮质素受体亚型，特别是MC4受体表现出良好的亲和力。该产品对治疗与一个或多个黑色素皮质素受体相关的病理性疾病具有特殊的兴趣。本发明还揭示了含有该产品的药物组合物及其用于制备药物的应用。
• PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS
  申请人：POITOUT Lydie

  公开号：US20100256135A1

  公开（公告）日：2010-10-07

  The invention relates to novel pyrimido-benzimidazole derivatives. Said products exhibit a good affinity for certain melanocortin receptor sub-types, in particular MC4 receptors. Said products represent a particular interest for treating pathological disorders and diseases associated with one or several melanocortin receptors. Pharmaceutical compositions containing said products and the use thereof for a drug preparation are also disclosed.

  该发明涉及一种新型嘧啶并苯并咪唑衍生物。该产品对某些黑素皮质素受体亚型，特别是MC4受体具有良好的亲和力。该产品对治疗与一个或多个黑素皮质素受体相关的病理性疾病具有特别的兴趣。还公开了含有该产品的药物组合物及其用于制备药物的用途。
• NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT
  申请人：POITOUT Lÿdie

  公开号：US20120316201A1

  公开（公告）日：2012-12-13

  The invention relates to novel benzimidazole and imidazopyridine derivatives having the general Formula (I), which have a good affinity with certain subtypes of melanocortin receptors, particularly MC4 receptors. The derivatives are particularly suitable for the treatment of pathological states and diseases involving one or more melanocortin receptors. The invention also relates to pharmaceutical compositions containing said the compounds having the general Formula (I).

  该发明涉及具有一般式(I)的新型苯并咪唑和咪唑吡啶衍生物，它们与某些亚型的黑色素皮质激素受体，特别是MC4受体具有良好的亲和力。这些衍生物特别适用于治疗涉及一个或多个黑色素皮质激素受体的病理状态和疾病。该发明还涉及含有具有一般式(I)的化合物的制药组合物。
• Benzimidazole and imidazopyridine derivatives and use thereof as a medicament
  申请人：Ipsen Pharma S.A.S.

  公开号：US08227485B2

  公开（公告）日：2012-07-24

  The invention relates to novel benzimidazole and imidazopyridine derivatives having general formula (I), which have a good affinity with certain sub-types of melanocortin receptors, particularly MC4 receptors. Said derivatives are particularly suitable for the treatment of pathological states and diseases involving one or more melanocortin receptors. The invention also relates to pharmaceutical compositions containing said products.

  本发明涉及具有通式（I）的新型苯并咪唑和咪唑吡啶衍生物，其与某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。所述衍生物特别适用于治疗涉及一个或多个黑色素皮质素受体的病理状态和疾病。本发明还涉及含有上述产品的制药组合物。