5-chloro-N-[1-[3-ethyl-2-[3-(4-methylpiperazin-1-yl)phenoxy]pyridin-4-yl]propyl]naphthalene-2-sulfonamide | 1110733-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-chloro-N-[1-[3-ethyl-2-[3-(4-methylpiperazin-1-yl)phenoxy]pyridin-4-yl]propyl]naphthalene-2-sulfonamide
• CAS: 1110733-44-2
• 化学式: C₃₁H₃₅ClN₄O₃S
• 分子量: 579.163
• InChiKey: VHKOEDQFOWPQHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• INHIBITOR OF BINDING OF S1P1
  申请人：Ono Naoya

  公开号：US20100234594A1

  公开（公告）日：2010-09-16

  A compound represented by formula (I) or a pharmaceutically acceptable salt thereof: (wherein Y 1 represents a nitrogen atom or a group represented by CR A , Y 2 represents a nitrogen atom or a group represented by CR B , Y 3 represents a nitrogen atom or a group represented by CR C , R A , R B and R C , which may be the same or different, each represent a hydrogen atom, etc. (excluding the case where Y 1 is CR A , Y 2 is CR B and Y 3 is CR C ), X represents an oxygen atom, etc., R 1 represents a C 1 -C 6 alkyl group, etc., R 2 represents a C 1 -C 6 alkyl group, etc., R 3 represents an optionally substituted phenyl group, etc., R 4 represents a hydrogen atom, etc., and R 5 represents an optionally substituted phenyl group, etc.) has an inhibitory effect on the binding between S1P and its receptor Edg-1(S1P 1 ), and is useful as a therapeutic agent for autoimmune diseases, rheumatoid arthritis, asthma, atopic dermatitis, rejection after organ transplantation, cancer, retinopathy, psoriasis, osteoarthritis, or age-related macular degeneration, etc.
• US8048898B2
  申请人：——

  公开号：US8048898B2

  公开（公告）日：2011-11-01