(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]amino]propanoic 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)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]amino]propanoic acid
• 化学式: C₂₁H₂₅N₇O₆S
• 分子量: 503.5
• InChiKey: ZKJCEFJNHPLFCD-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  168
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1635822A2

  公开（公告）日：2006-03-22
• EP1635822A4
  申请人：——

  公开号：EP1635822A4

  公开（公告）日：2009-06-24
• STEROID SPARING AGENTS AND THEIR USE
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1763361A2

  公开（公告）日：2007-03-21
• [EN] METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS<br/>[FR] METHODES ET COMPOSITIONS DE TRAITEMENT DE POLYARTHRITE RHUMATOIDE
  申请人：ELAN PHARM INC

  公开号：WO2005000246A2

  公开（公告）日：2005-01-06

  This application relates to methods and compositions for treating rheumatoid arthritis by administering a combination therapy comprising methotrexate and an antibody to alpha 4 integrin or an immunologically active antigen binding fragment in therapeutically effective amounts. The application also relates generally to methods and compositions for treating rheumatoid arthritis by administering a combination therapy comprising methotrexate and small molecule alpha-4 integrin antagonist that inhibits the alpha-4 integrin ( 4 integrin) interaction with VCAM-1. The invention further relates to methods of preparing the compounds and methods of using the compounds and compositions.
• [EN] STEROID SPARING AGENTS AND METHODS OF USING SAME<br/>[FR] AGENTS DE PRESERVATION DE STEROIDES ET LEURS PROCEDES D'UTILISATION
  申请人：ELAN PHARM INC

  公开号：WO2005097162A2

  公开（公告）日：2005-10-20

  This invention relates generally to the use of a steroid sparing agent for the preparation of a medicament for the treatment of inflammatory bowel diseases (IBD), asthma, multiple sclerosis (MS), rheumatoid arthritis (RA), graft versus host disease (GVHD), host versus graft disease, and various spondyloarthropathies, comprising administering a steroid sparing immunoglobulin or small molecule composition to a patient in need thereof. The invention also relates generally to combination therapies for the treatment of these conditions.