1-(3-cyano-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-urea

• 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-(3-cyano-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-urea
• 英文别名: 1-(3-cyanophenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxybiphenyl-2-ylmethyl]-urea；1-(3-Cyanophenyl)-3-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]urea
• 化学式: C₃₃H₃₈N₄O₄
• 分子量: 554.689
• InChiKey: ADHDXLDUGLGYQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1R,9R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol 、 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine hydrochloride 、 、 4-二甲氨基苯异氰酸酯 、 异氰酸间氰基苯酯 、 对甲氧基苯异氰酸酯 、 异氰酸甲酯 、 异氰酸乙酯 、 3-甲氧基苯异氰酸 、 异氰酸异丙酯 、 异氰酰乙酸乙酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-3-methyl-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-3-methyl-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-3-isopropyl-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-3-isopropyl-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-3-(4-methoxy-phenyl)-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-ylmethyl]-3-(3-methoxy-phenyl)-urea 、 {3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-ureido}-acetic acid ethyl ester 、 {3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-ureido}-acetic acid ethyl ester 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-3-(3-methoxy-phenyl)-urea 、 1-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-3-(4-methoxy-phenyl)-urea 、 1-(3-cyano-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-urea 、 1-(4-dimethylamino-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-3-yl-methyl]-urea 、 1-(3-cyano-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hexyl)-2'-hydroxy-biphenyl-2-yl-methyl]-urea 、 1-(4-dimethylamino-phenyl)-3-[4'-(1,1-dimethyl-6-morpholin-4-yl-6-oxo-hex-yl)-2'-hydroxy-bi-phenyl-2-yl-methyl]-urea
  参考文献：
  名称：

  Phenyl derivatives and methods of use

  摘要：

  披露了新的苯基化合物、含有这些化合物的药物组合物以及它们的药用方法。在某些实施例中，这些化合物是 cannabinoid 受体的激动剂和/或配体，可能用于治疗和/或预防疼痛、胃肠疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，用于提供对缺血和再灌注效应的心脏保护，用于诱导恶性细胞的凋亡，以及作为食欲刺激剂。

  公开号：

  US20060074086A1

文献信息

• PHENYL DERIVATIVES AND METHODS OF USE
  申请人：Dolle Roland E.

  公开号：US20100168108A1

  公开（公告）日：2010-07-01

  Novel phenyl compounds, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the compounds are agonists and/or ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, genitourinary disorders, inflammation, glaucoma, auto-immune diseases, ischemic conditions, immune-related disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, and as an appetite stimulant.

  本发明涉及新型苯基化合物、含有这些化合物的制药组合物以及它们的制药用途方法。在某些实施例中，这些化合物是大麻素受体的激动剂和/或配体，可以用于治疗和/或预防疼痛、胃肠道疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，提供心脏对缺血和再灌注效应的保护作用，诱导恶性细胞凋亡，并作为食欲刺激剂。
• US7671052B2
  申请人：——

  公开号：US7671052B2

  公开（公告）日：2010-03-02
• Phenyl derivatives and methods of use
  申请人：Dolle E. Roland

  公开号：US20060074086A1

  公开（公告）日：2006-04-06

  Novel phenyl compounds, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the compounds are agonists and/or ligands of cannabinoid receptors and may be useful, inter alia, for treating and/or preventing pain, gastrointestinal disorders, genitourinary disorders, inflammation, glaucoma, auto-immune diseases, ischemic conditions, immune-related disorders, and neurodegenerative diseases, for providing cardioprotection against ischemic and reperfusion effects, for inducing apoptosis in malignant cells, and as an appetite stimulant.

  披露了新的苯基化合物、含有这些化合物的药物组合物以及它们的药用方法。在某些实施例中，这些化合物是 cannabinoid 受体的激动剂和/或配体，可能用于治疗和/或预防疼痛、胃肠疾病、泌尿生殖系统疾病、炎症、青光眼、自身免疫疾病、缺血性疾病、免疫相关疾病和神经退行性疾病，用于提供对缺血和再灌注效应的心脏保护，用于诱导恶性细胞的凋亡，以及作为食欲刺激剂。