N-(2-(N,N-dimethylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl)-L-3-(3-(2,6-dimethoxyphenyl)pyridazin-6-yl)alanine | 1054591-69-3

• 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: N-(2-(N,N-dimethylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl)-L-3-(3-(2,6-dimethoxyphenyl)pyridazin-6-yl)alanine
• 英文别名: (2S)-3-[6-(2,6-dimethoxyphenyl)pyridazin-3-yl]-2-[[2-(dimethylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]propanoic acid
• CAS: 1054591-69-3
• 化学式: C₂₇H₃₂N₈O₄
• 分子量: 532.602
• InChiKey: BMKULQNZBJYVPN-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4
  申请人：——

  公开号：US20020052375A1

  公开（公告）日：2002-05-02

  Disclosed are certain 3-(heteroaryl)alanine derivatives which bind VLA-4 and inhibit leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明涉及某些3-(杂环芳基)丙氨酸衍生物，其与VLA-4结合并抑制由VLA-4介导的白细胞粘附。这些化合物可用于治疗哺乳动物患者（例如人类）的炎症性疾病，如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物还可用于治疗多发性硬化等炎症性脑部疾病。
• 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US20040266763A1

  公开（公告）日：2004-12-30

  Disclosed are certain 3-(heteroaryl)alanine derivatives which bind VLA-4 and inhibit leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明涉及某些3-(杂环芳基)丙氨酸衍生物，其与VLA-4结合并抑制VLA-4介导的白细胞粘附。这些化合物在哺乳动物患者，例如人类，如哮喘，阿尔茨海默病，动脉粥样硬化，艾滋病痴呆，糖尿病，炎症性肠病，类风湿性关节炎，组织移植，肿瘤转移和心肌缺血等炎症性疾病的治疗中有用。这些化合物还可以用于治疗多发性硬化等炎症性脑部疾病。
• 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4
  申请人：Konradi Andrei W.

  公开号：US20080182850A1

  公开（公告）日：2008-07-31

  Disclosed are certain 3-(heteroaryl)alanine derivatives which bind VLA-4 and inhibit leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明涉及某些3-(杂环芳基)丙氨酸衍生物，它们能够与VLA-4结合并抑制由VLA-4介导的白细胞粘附。这些化合物在哺乳动物患者，例如人类，如哮喘、阿尔茨海默病、动脉硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血等炎症性疾病的治疗中非常有用。这些化合物也可以用于治疗多发性硬化等炎症性脑部疾病。
• US6794506B2
  申请人：——

  公开号：US6794506B2

  公开（公告）日：2004-09-21
• US7365073B2
  申请人：——

  公开号：US7365073B2

  公开（公告）日：2008-04-29