1-[2-(((2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetyl)oxy)ethyl]-2,3-dimethyl-1H-imidazol-3-ium iodide | 943608-57-9

• 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: 1-[2-(((2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetyl)oxy)ethyl]-2,3-dimethyl-1H-imidazol-3-ium iodide
• 英文别名: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate;iodide
• CAS: 943608-57-9
• 化学式: C₂₀H₂₅F₂N₂O₃*I
• 分子量: 506.331
• InChiKey: HJWUOOZWQJGFMY-XLCHORMMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.51
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.3
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Compounds and Methods for the Treatment of Viruses and Cancer
  申请人：Jorgensen William L.

  公开号：US20100222352A1

  公开（公告）日：2010-09-02

  The present invention relates to compounds according to the formula I: Where R a is H or an optionally OH-substituted C 1 -C 3 alkyl; R 1 is OR 1 , an optionally substituted C 4-12 carbocyclic group which may be saturated or unsaturated (including aromatic) or an optionally substituted heterocyclic group; R 1 is an optionally substituted C 1 -C 14 hydrocarbyl group or an optionally substituted heterocyclic group; R 2 , R 3 and R 4 are each independently H, an optionally substituted C 1 -C 4 alkyl group (preferably CH 3 , CH 2 CH 3 or CF 3 ), halogen (preferably F, Cl, Br), OR, CN, NO 2 , a C 1 -C 6 thioether, a C 1 -C 6 thioester group, an optionally substituted CO 2 R group, an optionally substituted COR group or an optionally substituted OCOR group (preferably R 4 is H); R is H or an optionally substituted C 1 -C 6 alkyl group; RHET is an optionally substituted heterocyclic group; and pharmaceutically acceptable salts, solvates or polymorphs thereof.

  本发明涉及公式I的化合物：其中R为H或可选择的OH取代的C1-C3烷基; R1为OR1，可选择取代的C4-12碳环基，可饱和或不饱和（包括芳香族）或可选择取代的杂环基; R1为可选择取代的C1-C14烃基或可选择取代的杂环基; R2、R3和R4各自独立地为H、可选择取代的C1-C4烷基（优选为CH3、CH2 或CF3）、卤素（优选为F、Cl、Br）、OR、CN、NO2、C1-C6硫醚、C1-C6硫酯基、可选择取代的CO2R基团、可选择取代的COR基团或可选择取代的OCOR基团（优选R4为H）; R为H或可选择取代的C1-C6烷基; RHET为可选择取代的杂环基;以及其药学上可接受的盐、溶剂或多晶体。
• MUSCARINIC RECEPTOR ANTAGONISTS
  申请人：Kumar Naresh

  公开号：US20100222393A1

  公开（公告）日：2010-09-02

  Compounds of Formula (I), wherein represents a single bond when G is —OH and double bond when G is —O; R 1 and R 2 are independently selected from hydrogen, alkyl, alkenyl, alkynyl, aralkyl, cycloalkyl, aryl, heteroaryl, heterocyclyl, heterocyclylalkyl or heteroarylalkyl; R 3 is selected from the group selected from hydrogen, hydroxy, alkoxy, alkenyloxy or alkynyloxy; X is selected from oxygen, —NH, —NR (wherein R is alkyl, alkenyl, alkenyl, alkynyl or aryl), sulphur or no atom; Het is heterocyclyl or heteroaryl; n is an integer from 1 to 6; are muscarinic receptor antagonists, which are useful, among other uses, for the treatment of various diseases of the respiratory, urinary and 4 i gastrointestinal systems mediated through muscarinic receptors.

  式(I)的化合物，其中当G为—OH时表示单键，当G为—O时表示双键；R1和R2分别选自氢、烷基、烯基、炔基、芳基烷基、环烷基、芳基、杂芳基、杂环烷基、杂环烷基烷基或杂芳基烷基；R3选自氢、羟基、烷氧基、烯氧基或炔氧基所选的群；X选自氧、—NH、—NR（其中R为烷基、烯基、炔基、芳基或烷基芳基）、硫或无原子；Het为杂环烷基或杂芳基；n为1至6的整数。这些化合物是肌肉性乙酰胆碱受体拮抗剂，可用于治疗通过肌肉性乙酰胆碱受体介导的呼吸系统、泌尿系统和胃肠系统的各种疾病，除其他用途外。
• Compositions of phosphodiesterase type IV inhibitors
  申请人：Ranbaxy Laboratories Limited

  公开号：EP2111861A1

  公开（公告）日：2009-10-28

  Provided herein are pharmaceutical compositions comprising one or more phosphodiesterase inhibitors of type IV ("PDE-IV"), and atleast one other active ingredients selected from muscarinic receptor antagonists (MRA), β2-agonists, p38 MAP Kinase inhibitors, and corticosteroids and optionally one or more pharmaceutically acceptable excipients and/or other therapeutic agents. In addition, methods of treating autoimmune, inflammatory or allergic diseases or disorders are provided.

  本文提供的药物组合物包含一种或多种IV型磷酸二酯酶抑制剂（"PDE-IV"）、至少一种选自毒蕈碱受体拮抗剂（MRA）、β2-激动剂、p38 MAP激酶抑制剂和皮质类固醇的其他活性成分，以及可选的一种或多种药学上可接受的赋形剂和/或其他治疗剂。此外，还提供了治疗自身免疫性、炎症性或过敏性疾病或紊乱的方法。
• COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS
  申请人：Ray Abhijit

  公开号：US20100004215A1

  公开（公告）日：2010-01-07

  Provided herein are pharmaceutical compositions comprising one or more phosphodiesterase inhibitors of type IV (“PDE-IV”), and at least one other active ingredient such as muscarinic receptor antagonists (MRA), β2-agonists, p38 MAP Kinase inhibitors, or corticosteroids and optionally one or more pharmaceutically acceptable excipients. In addition, methods of treating autoimmune, inflammatory or allergic diseases or disorders are provided.
• US9018209B2
  申请人：——

  公开号：US9018209B2

  公开（公告）日：2015-04-28