Methanesulfonic acid 1-cyclohexyl-azetidin-3-yl ester; compound with oxalic acid | 33301-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Methanesulfonic acid 1-cyclohexyl-azetidin-3-yl ester; compound with oxalic acid
• 英文别名: 1-Cyclohexylazetidin-3-yl methanesulphonate oxalate；(1-cyclohexylazetidin-3-yl) methanesulfonate;oxalic acid
• CAS: 33301-39-2
• 化学式: C₂H₂O₄*C₁₀H₁₉NO₃S
• 分子量: 323.367
• InChiKey: ISNYJHAZJXGUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-5,5-dimethyl-1-pyridin-4-ylmethyl-imidazolidine-2,4-dione 、 Methanesulfonic acid 1-cyclohexyl-azetidin-3-yl ester; compound with oxalic acid 生成 3-[1-(1-Cyclohexylazetidin-3-yl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-1-pyridin-4-ylmethylimidazolidine-2,4-dione
  参考文献：
  名称：

  Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors

  摘要：

  该发明涉及式（I）的化合物： 其中R1、R2、L1、X、R3、A、R4、R4'、R4"、R4"'、R5、Y和L2的定义如本文所述，以及其盐和前药，用作蛋白激酶抑制剂，并用于治疗包括其给药的疾病的方法。

  公开号：

  US07759379B2

文献信息

• Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors
  申请人：Strobel Hartmut

  公开号：US20080004300A1

  公开（公告）日：2008-01-03

  The invention relates to compounds of formula (I): in which R1, R2, L 1 , X, R3, A, R4, R 4 ′, R 4 ″, R 4 ″′, R5, Y and L 2 are as herein defined, salts and prodrugs thereof, to their use as protein kinase inhibitors, and to methods of treating diseases comprising adminstration thereof.

  本发明涉及以下式(I)的化合物： 其中R1、R2、L1、X、R3、A、R4、R4'、R4"、R4"'、R5、Y和L2如本文所定义，以及其盐和前药，用作蛋白激酶抑制剂，并用于治疗包括其在内的疾病的治疗方法。
• NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS
  申请人：Aventis Pharma S.A.

  公开号：EP1773808B1

  公开（公告）日：2011-02-16
• US7759379B2
  申请人：——

  公开号：US7759379B2

  公开（公告）日：2010-07-20
• [EN] NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS<br/>[FR] NOUVEAUX DERIVES D'UREE CYCLIQUE, LEUR PREPARATION, ET LEUR UTILISATION PHARMACEUTIQUE COMME INHIBITEURS DE LA KINASE
  申请人：AVENTIS PHARMA SA

  公开号：WO2006010641A2

  公开（公告）日：2006-02-02

  The invention relates to products of formula (I): in which p = 0, 1 and 2; A = aryl, heteroaryl, carbocycle or heterocycle; X = single bond; -N(R6)-; -NH-alk-; alkylene; -O-; -C(O)-; -S(O)n-; -N(R6)-C(O)-; -NH-CO-alk-, -N(R6)-C(O)-N(R6')-; -N(R6)-C(S)-N(R6')-; -N(R6)-C(O)O-; -N(R6)-SO2-; -N(R6)-SO2-N(R6')-; -C(O)-N(R6)-; -SO2-NR6-; and -C(O)O-; L1 = single bond, alkylene, alkenylene, alkynylene, cycloalkylene, phenylene, heteroarylene; all optionally substituted; R1 = hydrogen, alkyl, alkenyl, alkynyl or cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl; -SO2R9, -C(O)R9; -C(O)OR9,-C(O)NR10R11, -C(S)NR10R11,-SO2NR10R11; R2 = hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, either R1 and R2 with N, or NR1R2 with L1 may form a saturated or unsaturated heterocycle possibly containing O, N, S; R3 = hydrogen; halogen; alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkylenedioxy, heterocycle, aryl and heteroaryl, all optionally substituted; S(O)n-alkyl; amino, alkylamino, dialkylamino, with dialkylamino optionally forming with N a cycle, all optionally substituted; R4, R4' and R4''= hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, oxo; with two from among R4, R4' and R4'' possibly forming with C a ring possibly containing O, N or S; L2 = single bond, alkylene, alkenylene, alkynylene, cycloalkylene, -O-, -NR17-, -C(O)-, SO2; Y = N-heterocycle possibly containing O, N or S; R5 = hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl; all these radicals being optionally substituted, these products being in all the isomeric forms and the salts, as medicinal products.