1,1-Dimethyl-3-thienyl-glycoloyloxy>-pyrrolidinium | 21379-80-6

• 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: 1,1-Dimethyl-3-thienyl-glycoloyloxy>-pyrrolidinium
• 英文别名: 3-(hydroxy-phenyl-thiophen-2-yl-acetoxy)-1,1-dimethyl-pyrrolidinium；Heteronium；(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
• CAS: 21379-80-6
• 化学式: C₁₈H₂₂NO₃S
• 分子量: 332.444
• InChiKey: IGWCFPFGZULDHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NOVEL BRONCHODILATING DIAZAHETEROARYLS
  申请人：Johansson Martin

  公开号：US20120040942A1

  公开（公告）日：2012-02-16

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

  这项发明涉及具有通式（I）的新化合物，这些化合物可用于治疗由支气管痉挛引起的疾病或疾病，例如慢性阻塞性肺疾病（COPD）和哮喘。
• [EN] NOVEL BRONCHODILATING DIAZAHETEROARYLS<br/>[FR] NOUVEAUX DIAZAHÉTÉROARYLES BRONCHODILATATEURS
  申请人：RESPIRATORIUS AB

  公开号：WO2010097410A1

  公开（公告）日：2010-09-02

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

  这项发明涉及具有通式（I）的新化合物，这些化合物可用于治疗由支气管痉挛引起的疾病或疾病，例如慢性阻塞性肺疾病（COPD）和哮喘。
• [EN] BRONCHORELAXING COMPOUNDS<br/>[FR] COMPOSES BRONCHO-RELACHANTS
  申请人：RESPIRATORIUS AB

  公开号：WO2005070887A1

  公开（公告）日：2005-08-04

  A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts formula (I) wherein A is CHR9, wherein R9 is H, C1-C6 alkyl;n is 1-3; B is CHR10, wherein R10 is H, C1-C6 alkyl; m is 1 or 2; D is O or S; E is CR11R12 or NR13, wherein R11 and R12 are, independent of each other, H or C1-C6 alkyl, R13 is H or C1-C6 alkyl; F is C1-C18 alkyl or R4-R7 cycloalkyl, which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction; also disclosed is a pharmaceutical composition comprising the compound of formula (I), a pharmaceutical carrier and, optionally, an anti-asthmatic, a method for its manufacture, and a method for treating or preventing such disease.

  通式（I）的化合物及其药学上可接受的酸加合盐，其中A为CHR9，其中R9为H，C1-C6烷基；n为1-3；B为CHR10，其中R10为H，C1-C6烷基；m为1或2；D为O或S；E为CR11R12或NR13，其中R11和R12独立地为H或C1-C6烷基，R13为H或C1-C6烷基；F为C1-C18烷基或R4-R7环烷基，可以是单烯或双烯和/或取代的，用于治疗和预防以支气管收缩为特征的肺部疾病；还公开了包含通式（I）的药物组合物、药物载体和可选的抗哮喘药、其制造方法以及治疗或预防该疾病的方法。
• Bronchorelaxing compounds
  申请人：Skogvall Staffan

  公开号：US20060040919A1

  公开（公告）日：2006-02-23

  A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts wherein A is CHR 9 , wherein R 9 is H, C 1 -C 6 alkyl; n is 1-3; B is CHR 10 , wherein R 10 is H, C 1 -C 6 alkyl; m is 1 or 2; D is O or S; E is CR 11 R 12 or NR 13 , wherein R 11 and R 12 are, independent of each other, H or C 1 -C 6 alkyl, R 13 is H or C 1 -C 6 alkyl; F is C 1 -C 18 alkyl or R 4 -R 7 cycloalkyl, which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction; also disclosed is a pharmaceutical composition comprising the compound of formula (I), a pharmaceutical carrier and, optionally, an anti-asthmatic, a method for its manufacture, and a method for treating or preventing such disease.

  化合物的一般式(I)及其药学上可接受的酸盐包括其中，其中A为CHR9，其中R9为H，C1-C6烷基；n为1-3；B为CHR10，其中R10为H，C1-C6烷基；m为1或2；D为O或S；E为CR11R12或NR13，其中R11和R12独立地为H或C1-C6烷基，R13为H或C1-C6烷基；F为C1-C18烷基或R4-R7环烷基，可以是单烯或双烯和/或取代的，用于治疗和预防以支气管收缩为特征的肺部疾病；还公开了包括式(I)化合物的药物组合物、药物载体和可选的抗哮喘药、其制造方法以及治疗或预防该疾病的方法。
• TRIPHENYLPHOSPHONIUM SALTS FOR USE IN CANCER THREAPY
  申请人：Centrum Badan Molekularnych I Makromolekularnych Polskiej Akademii Nauk

  公开号：EP3124027A1

  公开（公告）日：2017-02-01

  The present invention relates to the medical use of triphenylphosphonium salts of formula 1, where: A - represents a hexamethylene group, particularly an unbranched carbon chain, or a biphenyl group, R - represents an alkyl group of C1-C10 when A is a hexamethylene group, particularly an unbranched carbon chain, or a halogen atom, especially a bromine atom when A is a biphenyl group, X - represents halogen, in particular iodine or bromine atom or a group selected from the following residues: BF4, PF6, [CF3SO2)2N], [(C2F5)3PF3], RSO4 (H, alkyl CnH2n,1, n=1-15), CH3C(O)O, CH3CH(OH)C(O)O, CF3C(O)O, CF3SO3, TsO, C(CN)3, N(CN)2, NCS, for the manufacture of medicaments for use in anticancer therapies, acting against human cervical carcinoma and human chronic myelogenous leukemia cells.

  本发明涉及式 1 的三苯基膦盐的医疗用途、 其中 A - 代表六亚甲基，特别是未支链碳链，或联苯基、 R - 代表 C1-C10 烷基（当 A 为六亚甲基时，特别是未支链碳链）或卤原子（当 A 为联苯基时，特别是溴原子）、 X - 代表卤素，特别是碘原子或溴原子，或选自以下残基的基团：BF4、PF6、[CF3SO2)2N]、[(C2F5)3PF3]、RSO4（H、烷基 CnH2n,1，n=1-15）、CH3C(O)O、CH3CH(OH)C(O)O、CF3C(O)O、CF3SO3、TsO、C(CN)3、N(CN)2、NCS、用于制造抗癌治疗药物，对人类宫颈癌和人类慢性骨髓性白血病细胞起作用。