6-(cyclohexylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide | 1219937-80-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(cyclohexylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
• CAS: 1219937-80-0
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: YNYFNLRRFKDLRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  76.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-chloro-N-(4-methoxyphenyl)pyrimidine-4-carboxamide 、 环己胺 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成 6-(cyclohexylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
  参考文献：
  名称：

  Discovery of a novel series of potent S1P1 agonists

  摘要：

  The discovery of a novel series of S1P1 agonists is described. Starting from a micromolar HTS positive, iterative optimization gave rise to several single-digit nanomolar S1P1 agonists. The compounds were able to induce internalization of the S1P1 receptor, and a selected compound was shown to be able to induce lymphopenia in mice after oral dosing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.102

文献信息

• 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS
  申请人：Merck Serono Sa

  公开号：US20130109669A1

  公开（公告）日：2013-05-02

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R 1 and R 2 have the meanings given in claim 1 . The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  本发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2具有权利要求1中给出的含义。该化合物可用于治疗自身免疫性疾病，如多发性硬化症。