(2S)-2-(naphthalene-2-sulfonylamino)-3-{4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-propoxy]-phenyl}-propionic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-(naphthalene-2-sulfonylamino)-3-{4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-propoxy]-phenyl}-propionic acid
• 英文别名: (2S)-2-(naphthalen-2-ylsulfonylamino)-3-[4-[4-oxo-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]propanoic acid
• 化学式: C₂₇H₃₀N₄O₆S
• 分子量: 538.624
• InChiKey: BIEKAQKOLSABMK-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  155
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2S)-2-(naphthalene-2-sulfonylamino)-3-{4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-propoxy]-phenyl}-propionic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以84 mg的产率得到(2S)-2-(naphthalene-2-sulfonylamino)-3-{4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-propoxy]-phenyl}-propionic acid
  参考文献：
  名称：

  Guanidine derivatives as inhibitors of cell adhesion

  摘要：

  本发明涉及公式I的酰基胍衍生物 其中R1、R2、R4、Ar、X和n具有权利要求中所指示的含义，它们的生理耐受盐和前药。公式I的化合物是有价值的药理活性化合物。它们是维特龙蛋白受体拮抗剂和细胞粘附抑制剂。例如，它们通过抑制破骨细胞来抑制骨吸收，并适用于治疗和预防至少部分由于不良程度的骨吸收引起的疾病，例如骨质疏松症。此外，本发明还涉及制备公式I化合物的方法，它们的用途，特别是作为药物制剂中的活性成分，以及包含它们的药物制剂。

  公开号：

  US06340679B1

文献信息

• Novel guanidine derivatives as inhibitors of cell adhesion
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1028114A1

  公开（公告）日：2000-08-16

  The present invention relates to acylguanidine derivatives of the formula I, in which R1, R2, R4, Ar, X and n have the meanings indicated in the claims, their physiologically tolerable salts and their prodrugs. The compounds of the formula I are valuable pharmacologically active compounds. They are vitronectin receptor antagonists and inhibitors of cell adhesion and inhibit bone resorption by osteoclasts. They are suitable, for example, for the therapy and prophylaxis of diseases which are caused at least partially by an undesired extent of bone resorption, for example osteoporosis. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式 I 的酰基胍衍生物、 其中 R1、R2、R4、Ar、X 和 n 具有权利要求中所述的含义。式 I 的化合物是具有重要药理活性的化合物。它们是玻璃连蛋白受体拮抗剂和细胞粘附抑制剂，可抑制破骨细胞的骨吸收。例如，它们适用于治疗和预防至少部分由不希望的骨吸收程度引起的疾病，如骨质疏松症。本发明还涉及式 I 化合物的制备工艺、其用途（尤其是作为药物的活性成分）以及包含它们的药物制剂。
• NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1155003A1

  公开（公告）日：2001-11-21
• US6340679B1
  申请人：——

  公开号：US6340679B1

  公开（公告）日：2002-01-22
• [EN] NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION<br/>[FR] NOUVEAUX DERIVES DE GUANIDINE UTILISES EN TANT QU'INHIBITEURS D'ADHESION CELLULAIRE
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2000047564A1

  公开（公告）日：2000-08-17

  The present invention relates to acylguanidine derivatives of formula (I) in which R?1, R2, R4¿, Ar, X and n have the meanings indicated in the claims, their physiologically tolerable salts and their prodrugs. The compounds of formula (I) are valuable pharmacologically active compounds. They are vitronectin receptor antagonists and inhibitors of cell adhesion. They inhibit, for example, bone resorption by osteoclasts and are suitable for the therapy and prophylaxis of diseases which are caused at least partially by an undesired extent of bone resorption, for example osteoporosis. The invention furthermore relates to processes for the preparation of compounds of formula (I), their use, in particular as active ingredients in pharmaceutical preparations, and pharmaceutical preparations comprising them.