4-chloro-N-[5-chloro-2-(9H-purine-6-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide | 1100319-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-chloro-N-[5-chloro-2-(9H-purine-6-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
• 英文别名: 4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• CAS: 1100319-27-4
• 化学式: C₁₈H₉Cl₂F₃N₆O₃S
• 分子量: 517.275
• InChiKey: IFRKGTRUQDWZOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  5-chloro-3-[methoxymethyl-(4-chloro-3-trifluoromethyl-benzenesulfonyl)-amino]-pyridine-2-carboxylic acid methoxy-methyl-amide 、 6-iodo-9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purine 、 、 甲醇 、 盐酸 在 final product 作用下， 以 四氢呋喃 、 异丙基氯化镁 为溶剂， 生成 4-chloro-N-[5-chloro-2-(9H-purine-6-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
  参考文献：
  名称：

  FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION

  摘要：

  提供了一些作为CCR2受体激动剂的有效拮抗剂的化合物。这些化合物通常是芳基磺酰胺衍生物，并可用于制备药物组合物，治疗CCR2介导的疾病的方法以及用作CCR2拮抗剂鉴定的实验控制。

  公开号：

  US20090233946A1

文献信息

• [EN] FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION<br/>[FR] HÉTÉROARYL-PYRIDYL- ET PHÉNYL-BENZÈNESULFONAMIDES CONDENSÉS EN TANT QUE MODULATEURS DU CCR2 POUR LE TRAITEMENT DE L'INFLAMMATION
  申请人：CHEMOCENTRYX INC

  公开号：WO2009009740A1

  公开（公告）日：2009-01-15

  Compounds are provided that act as potent antagonists of the CCR2 receptor. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR2- mediated diseases and as controls in assays for the identification of CCR2 antagonists. A compound of the formula (I) or a salt thereof: where: R1 and R2 are each independently hydrogen, halogen, C1-8alkyl, -CN. or C1-8 haloalkyl, provided that at least one of R11or R2 is other than hydrogen; each R3 is independently hydrogen; R4 is hydrogen; R5 is halogen or C1-8 alkyl; R6 is hydrogen; X1 is CR7, N or NO; X2 and X4 are N or NO; X3 is CR7; X6 and X7 are each independently selected from CR7, N, and NO; each R7 is independently selected from the group consisting of hydrogen, halogen, substituted or unsubstituted C2-8 alkyl, substituted or unsubstituted C2-8 alkeπyl, substituted or unsubstituted C2-8 alkynyl, -CN. =O, -NO2, -OR6, -OC(O)R8, -CO2R8, -C(O)R8, -C(O)NR0R8, -OC(O)NR9R8, -NR10C(O)R8, -NR10C(O)NR9R8, -NR9R8, -NR10CO2R8, -SR8, -S(O)R8, -S(O)2R8, -S(O)2NR9R8, -NR10S(O)2R8, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl and substituted or unsubstituted 3- to 10-membered heterocyclyl;

  提供的化合物作为CCR2受体的有效拮抗剂。这些化合物通常是芳基磺酰胺衍生物，可用于制药组合物、治疗CCR2介导疾病的方法以及作为鉴定CCR2拮抗剂的测定中的对照物。具有以下式（I）或其盐的化合物：其中：R1和R2各自独立地是氢、卤素、C1-8烷基、-CN或C1-8卤代烷基，但至少其中一个是氢以外的；每个R3独立地是氢；R4是氢；R5是卤素或C1-8烷基；R6是氢；X1是CR7、N或NO；X2和X4是N或NO；X3是CR7；X6和X7各自独立地选自CR7、N和NO；每个R7独立地选自氢、卤素、取代或未取代的C2-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、-CN、=O、-NO2、-OR6、-OC（O）R8、-CO2R8、-C（O）R8、-C（O）NR0R8、-OC（O）NR9R8、-NR10C（O）R8、-NR10C（O）NR9R8、-NR9R8、-NR10CO2R8、-SR8、-S（O）R8、-S（O）2R8、-S（O）2NR9R8、-NR10S（O）2R8、取代或未取代的C6-10芳基、取代或未取代的5-至10-成员杂芳基和取代或未取代的3-至10-成员杂环烷基。
• Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation
  申请人：ChemoCentryx, Inc.

  公开号：US07884110B2

  公开（公告）日：2011-02-08

  Compounds are provided that act as potent antagonists of the CCR2 receptor. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR2-mediated diseases and as controls in assays for the identification of CCR2 antagonists.

  提供了一些化合物，它们作为CCR2受体的强效拮抗剂。这些化合物通常是芳基磺酰胺衍生物，并且在制药组合物、治疗CCR2介导的疾病的方法以及作为鉴定CCR2拮抗剂的测定中的对照物中有用。
• Heteroaryl sulfonamides and CCR2/CCR9
  申请人：Ungashe Solomon

  公开号：US20110118248A1

  公开（公告）日：2011-05-19

  Compounds are provided that act as potent antagonists of the CCR2 receptor. Animal testing demonstrates that these compounds are useful for treating inflammation, a hallmark disease for CCR2. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR2-mediated diseases, and as controls in assays for the identification of CCR2 antagonists.

  提供了一些化合物，可以作为CCR2受体的有效拮抗剂。动物实验表明，这些化合物对于治疗CCR2标志性疾病炎症很有用。这些化合物通常是芳基磺酰胺衍生物，并且可用于制药组合物、治疗CCR2介导疾病的方法以及作为CCR2拮抗剂鉴定试验的对照。
• HETEROARYL SULFONAMIDES AND CCR2/CCR9
  申请人：ChemoCentryx, Inc.

  公开号：US20140031348A1

  公开（公告）日：2014-01-30

  Compounds are provided that act as potent antagonists of the CCR2 receptor. Animal testing demonstrates that these compounds are useful for treating inflammation, a hallmark disease for CCR2. The compounds are generally aryl sulfonamide derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR2-mediated diseases, and as controls in assays for the identification of CCR2 antagonists.

  提供了一些化合物，它们作为CCR2受体的有效拮抗剂。动物实验表明，这些化合物对于治疗CCR2的标志性疾病炎症非常有用。这些化合物通常是芳基磺酰胺衍生物，并且可用于制药组合物、治疗CCR2介导的疾病的方法以及作为CCR2拮抗剂鉴定的测定中的对照物。
• FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESULFONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION
  申请人：ChemoCentryx, Inc.

  公开号：EP2175859A1

  公开（公告）日：2010-04-21