N-(4-{(1S,4S)-4-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-1,2,3,4-tetrahydro-naphthalen-1-yloxymethyl}-pyridin-2-yl)-2-methoxy-acetamide | 1351997-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(4-{(1S,4S)-4-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-1,2,3,4-tetrahydro-naphthalen-1-yloxymethyl}-pyridin-2-yl)-2-methoxy-acetamide
• 英文别名: N-(4-{(1S,4S)-4-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)ureido]-1,2,3,4-tetrahydronaphthalen-1-yIoxymethyl}pyridin-2-yl)-2-methoxyacetamide；N-[4-[[(1S,4S)-4-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]oxymethyl]pyridin-2-yl]-2-methoxyacetamide
• CAS: 1351997-13-1
• 化学式: C₃₄H₄₀N₆O₄
• 分子量: 596.729
• InChiKey: XFGRGMAKVOTAJE-NSOVKSMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲氧基乙酰氯 、 1-[(1S,4S)-4-(2-amino-pyridin-4-ylmethoxy)-1,2,3,4-tetrahydro-naphthalen-1-yl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-urea 在 N,N-二异丙基乙胺 作用下， 反应 2.0h， 以46%的产率得到N-(4-{(1S,4S)-4-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-1,2,3,4-tetrahydro-naphthalen-1-yloxymethyl}-pyridin-2-yl)-2-methoxy-acetamide
  参考文献：
  名称：

  UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT

  摘要：

  式(I)的化合物是p38 MAPK抑制剂，在治疗呼吸系统疾病等炎症疾病中作为抗炎药物有用，其中R1是式(IA)或(IB)或(IC)的基团：Y是-0-或-S(0)p-，其中p为0、1或2；A是一个有5、6或7个环原子与苯环融合的可选择取代的环烷基基团；而R2、R3b和R4b如权利要求中所定义。

  公开号：

  US20130143914A1

文献信息

• [EN] UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT<br/>[FR] DÉRIVÉS D'URÉE ET LEUR UTILISATION THÉRAPEUTIQUE DANS LE TRAITEMENT, ENTRE AUTRES, DE MALADIES DU SYSTÈME RESPIRATOIRE
  申请人：CHIESI FARMA SPA

  公开号：WO2011154738A1

  公开（公告）日：2011-12-15

  Compounds of formula (I) are p38 MAPK inhibitors, useful as anti- inflammatory agents in the treatment of, inter alia, diseases of the respiratory wherein R1 is a radical of formula (IA) or (IB) or (IC): 10 Y is -0- or -S(0)p- wherein p is 0, 1 or 2; A is an optionally substituted cycloalkylene radical having 5, 6 or 7 ring atoms fused to a phenyl ring; and R2, R3b and R4b are as defined in the claims.

  式(I)的化合物是p38 MAPK抑制剂，在治疗呼吸系统疾病等疾病中作为抗炎药物有用，其中R1是式(IA)、(IB)或(IC)的基团；Y是-0-或-S(0)p-，其中p为0、1或2；A是一个可选择地取代的环烷基基团，具有5、6或7个环原子与苯环融合；而R2、R3b和R4b如权利要求中所定义。
• POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2579717A2

  公开（公告）日：2013-04-17
• Urea derivatives and their therapeutic use in the treatment of, inter alia, diseases of the respiratory tract
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：EP2580212B1

  公开（公告）日：2015-01-28
• US8916708B2
  申请人：——

  公开号：US8916708B2

  公开（公告）日：2014-12-23
• [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2
  申请人：MERCK SHARP & DOHME

  公开号：WO2011156245A2

  公开（公告）日：2011-12-15

  The present invention is directed to 5-substituted 1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-one derivatives which are positive allosteric modulators of the mGluR2 receptor, useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 receptor is involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved, such as schizophrenia.