N-[4-(aminocarbonyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide | 1114590-85-0

• 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: N-[4-(aminocarbonyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
• 英文别名: N-(4-carbamoylphenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide；N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
• CAS: 1114590-85-0
• 化学式: C₂₂H₂₇N₅O₂
• 分子量: 393.489
• InChiKey: RVGPRODDRDZBQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxylic acid 、 对氨基苯甲酰胺 以 二氯甲烷 为溶剂， 以the title compound was obtained as a brown solid in 85% yield after trituration in DCM的产率得到N-[4-(aminocarbonyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide
  参考文献：
  名称：

  6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS

  摘要：

  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。

  公开号：

  US20130109669A1

文献信息

• [EN] 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS<br/>[FR] DÉRIVÉS DE 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE ET COMPOSÉS ASSOCIÉS QUI SE FIXENT AU RÉCEPTEUR DE SPHINGOSINE-1-PHOSPHATE (S1P) DANS LE TRAITEMENT DE LA SCLÉROSE EN PLAQUES
  申请人：SERONO LAB

  公开号：WO2009019167A1

  公开（公告）日：2009-02-12

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R1 and R2 have the meanings given in claim 1. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  这项发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2的含义如权利要求1所述。该化合物在治疗自身免疫性疾病（如多发性硬化症）方面是有用的。
• 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：Bombrun Agnes

  公开号：US20100210619A1

  公开（公告）日：2010-08-19

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R 1 and R 2 have the meanings given in claim 15. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  该发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2的含义如权利要求15所述。该化合物在治疗自身免疫性疾病（如多发性硬化症）等方面是有用的。
• 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。
• Discovery of a novel series of potent S1P1 agonists
  作者：Stefano Crosignani、Agnes Bombrun、David Covini、Maurizio Maio、Delphine Marin、Anna Quattropani、Dominique Swinnen、Don Simpson、Wolfgang Sauer、Bernard Françon、Thierry Martin、Yves Cambet、Anthony Nichols、Isabelle Martinou、Fabienne Burgat-Charvillon、Delphine Rivron、Cristina Donini、Olivier Schott、Valerie Eligert、Laurence Novo-Perez、Pierre-Alain Vitte、Jean-François Arrighi

  DOI：10.1016/j.bmcl.2010.01.102

  日期：2010.3

  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.
• US8399448B2
  申请人：——

  公开号：US8399448B2

  公开（公告）日：2013-03-19