6-[(cyclopropylmethyl)(propyl)amino]-N-{2-[2-(dimethylamino)-2-oxoethyl]-2H-indazol-5-yl}pyrimidine-4-carboxamide | 1114591-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 6-[(cyclopropylmethyl)(propyl)amino]-N-{2-[2-(dimethylamino)-2-oxoethyl]-2H-indazol-5-yl}pyrimidine-4-carboxamide
• 英文别名: 6-[cyclopropylmethyl(propyl)amino]-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]pyrimidine-4-carboxamide
• CAS: 1114591-52-4
• 化学式: C₂₃H₂₉N₇O₂
• 分子量: 435.529
• InChiKey: CNMJBNLMQADREO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-[(cyclopropylmethyl)(propyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide 、 2-氯-N,N-二甲基乙酰胺 在 potassium iodide potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 6-[(cyclopropylmethyl)(propyl)amino]-N-{1-[2-(dimethylamino)-2-oxoethyl]-2H-indazol-5-yl}pyrimidine-4-carboxamide 、 6-[(cyclopropylmethyl)(propyl)amino]-N-{2-[2-(dimethylamino)-2-oxoethyl]-2H-indazol-5-yl}pyrimidine-4-carboxamide
  参考文献：
  名称：

  [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
  [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

  摘要：

  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。

  公开号：

  WO2009019167A1

文献信息

• NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160311833A1

  公开（公告）日：2016-10-27

  The present application relates to novel 6-substituted indazoles having a carboxamide side chain, to processes for their preparation, to their use alone or in combinations for the treatment and/or prophylaxis of diseases, and to their use for producing medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of endometriosis, lymphomas, macular degeneration, COPD and psoriasis.

  本申请涉及具有羧酰胺侧链的新型6-取代吲唑的化合物，以及它们的制备方法，单独或组合用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防子宫内膜异位症、淋巴瘤、黄斑变性、慢性阻塞性肺病和牛皮癣。
• 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：Bombrun Agnes

  公开号：US08399448B2

  公开（公告）日：2013-03-19

  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, for example, in the treatment of autoimmune disorders, such as multiple sclerosis.

  本发明涉及化合物的公式(I):其中X，W，Q，R，R1和R2具有权利要求1中给出的含义。这些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。
• NEUE INDAZOLCARBOXAMIDE, VERFAHREN ZU IHRER HERSTELLUNG, PHARMAZEUTISCHE PRÄPARATE DIE DIESE ENTHALTEN, SOWIE DEREN VERWENDUNG ZUR HERSTELLUNG VON ARZNEIMITTELN
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3083586B1

  公开（公告）日：2018-04-18