5-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroman-7-yloxy)-hexyl]-phenoxy}-pentanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroman-7-yloxy)-hexyl]-phenoxy}-pentanoic acid
• 英文别名: 5-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]pentanoic acid
• 化学式: C₃₂H₄₂O₈
• 分子量: 554.7
• InChiKey: NMERKKYZMWDBEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  40
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Bicyclic carboxylic acid derivatives as anti-inflammatory agents
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0531823A1

  公开（公告）日：1993-03-17

  Compounds of the formula    wherein    X is -O- or -CH₂-;    Y is -O-, -CH₂-CH₂-, -CH=CH-, -C≡C- or -OCH₂C₆H₄-;    Z is -CH₂-CH₂-, -CH=CH- or -C≡C-;    R¹ is hydrogen, lower alkyl, lower alkenyl, cycloalkyl or aralkyl;    A is -B or -O-B;    B is a mono-, di- or tricyclic aromatic or heteroaromatic moiety substituted by the group -COR², -(O)t-(W)s-COR²or -(CH=CH)pCOR² and which may also contain up to 4 additional substituents selected, independently, from the group consisting of halogen, cyano, lower alkyl, lower alkoxy, sulfonamido, alkanoyl, aroyl, -(Q)k-(W)s'-E or -(Q)k-(W)s''-    C₆H₄-(W)s'''-E, provided that no more than one of said substituents is -(Q)k-(W)s'-E or -(Q)k-(W)s''-C₆H₄-(W)s'''-E;    E is -COR² or R²;    W is -CR³R⁴-;    Q is -O- or carbonyl;    R² is hydroxy, lower alkoxy or -NR³R⁴;    R³ and R⁴ , each occurence, independently, are hydrogen or lower alkyl;    f, h, k, m and t, independently, are 0 or 1;    n, s and s', independently, are an integer from 1 to 12;    p is an integer from 1 to 2;    s'' and s''', independently, are a integer from 0 to 12; and    C₆H₄ is a 1,2-, 1,3- or 1,4-phenylene moiety, their geometric and optical isomers and, when R² hydroxy, pharmaceutically acceptable salts thereof with bases are potent leukotriene B₄ antagonists and are therefore useful in the treatment of inflammatory diseases, such as psoriasis, inflammatory bowel diseases, asthma, allergy, arthritis, dermatitis, gout, pulmonary disease, ischemia/reperfusion injury, and trauma induced inflammation, such as spinal cord injury.

  式中的化合物 其中 X 是-O-或-CH₂-； Y 是-O-、-CH₂-CH₂-、-CH=CH-、-C≡C- 或-OCH₂C₆H₄-； Z 是 -CH₂-CH₂-、-CH=CH- 或 -C≡C-； R¹ 是氢、低级烷基、低级烯基、环烷基或芳烷基； A 是-B 或-O-B； B 是被基团-COR²、-(O)t-(W)s-COR²或-(CH=CH)pCOR²取代的单环、二环或三环芳香族或杂芳族分子，其中还可包含最多 4 个独立选自卤素、氰基、低级烷基、低级烷氧基、磺酰胺基、烷酰基、芳基、-(Q)k-(W)s'-E 或-(Q)k-(W)s''-的额外取代基。 (Q)k-(W)s''-E或-(Q)k-(W)s''-C₆H₄-(W)s''-E； E 是 -COR² 或 R²； W 是-CR³R⁴-； Q 是-O-或羰基； R² 是羟基、低级烷氧基或-NR³R⁴； R³ 和 R⁴，各自独立地为氢或低级烷基； f、h、k、m 和 t 独立地为 0 或 1； n、s 和 s' 分别是 1 到 12 的整数； p 是 1 到 2 的整数； s'' 和 s'''' 分别是 0 至 12 的整数；以及 C₆H₄ 是 1,2-、1,3- 或 1,4- 苯基、 它们的几何异构体和光学异构体，以及当 R² 为羟基时，它们与碱的药学上可接受的盐是强效的白三烯 B₄拮抗剂，因此可用于治疗炎症性疾病，如牛皮癣、炎症性肠病、哮喘、过敏、关节炎、皮炎、痛风、肺部疾病、缺血/再灌注损伤和创伤引起的炎症，如脊髓损伤。
• Preventive or therapeutic agent for age-related macular degeneration
  申请人：JUNTENDO EDUCATIONAL FOUNDATION

  公开号：US10849954B2

  公开（公告）日：2020-12-01

  To provide a new preventive or therapeutic agent for age-related macular degeneration. The present invention relates to a preventive or therapeutic agent for age-related macular degeneration containing a BLT1 antagonist or a LTB4 biosynthesis inhibitor as an active ingredient. The administration form of the preventive or therapeutic agent for age-related macular degeneration of the present invention includes eye drops, injections, oral agents (tablets, granules, dispersions, capsules), ointments, and creams. The form of these pharmaceutical compositions can be formulated by combining with a pharmaceutically acceptable carrier.

  为老年性黄斑变性提供一种新的预防或治疗剂。 本发明涉及一种老年性黄斑变性的预防或治疗剂，其活性成分含有 BLT1 拮抗剂或 LTB4 生物合成抑制剂。本发明的老年性黄斑变性预防剂或治疗剂的给药形式包括滴眼剂、注射剂、口服剂（片剂、颗粒剂、分散剂、胶囊剂）、软膏和霜剂。这些药物组合物的形式可以通过与药学上可接受的载体结合来配制。
• PREVENTIVE OR THERAPEUTIC AGENT FOR AGE-RELATED MACULAR DEGENERATION
  申请人：JUNTENDO EDUCATIONAL FOUNDATION

  公开号：US20170333516A1

  公开（公告）日：2017-11-23

  To provide a new preventive or therapeutic agent for age-related macular degeneration. The present invention relates to a preventive or therapeutic agent for age-related macular degeneration containing a BLT1 antagonist or a LTB 4 biosynthesis inhibitor as an active ingredient. The administration form of the preventive or therapeutic agent for age-related macular degeneration of the present invention includes eye drops, injections, oral agents (tablets, granules, dispersions, capsules), ointments, and creams. The form of these pharmaceutical compositions can be formulated by combining with a pharmaceutically acceptable carrier.
• US5273999A
  申请人：——

  公开号：US5273999A

  公开（公告）日：1993-12-28
• US5434186A
  申请人：——

  公开号：US5434186A

  公开（公告）日：1995-07-18