Cerapp_53176

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: Cerapp_53176
• 英文别名: 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
• 化学式: C₁₆H₂₁N
• 分子量: 227.34
• InChiKey: INAXVFBXDYWQFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• New morphine derivatives having improved analgesic and narcotic properties
  申请人：KATHOLIEKE UNIVERSITEIT NIJMEGEN

  公开号：EP0632041A1

  公开（公告）日：1995-01-04

  Morphine derivatives having the formula wherein: A¹ represents -O-, -S-, -NR⁴- or -CHR⁵- ; A² represents -O-, -S- or -NR⁴- ; R¹ represents C₁-C₄ alkyl, C₁-C₄ alkenyl or cycloalkylmethyl; R² represents H, C₁-C₆ alkyl, C₁-C₆ alkenyl, C₁-C₈ acyl or C₁-C₆ hydroxyalkyl; one of X¹ and X² represents H and the other one is a group -A³-R³; A³ represents -CH₂-, -CH₂CH₂-, -OCH₂-, -SCH₂-, -NR⁴CH₂-, -CO-, -NR⁴CO-, -SCO-, -SO₂-, -NR⁴SO₂-, -O-, -S- or -NR⁴-; R³ represents an optionally substituted heterocyclic group; R⁴ and R⁵ independently represent H or C₁-C₄ alkyl; whereby the morphinan system may have a further unsaturation, in additon to the benzene ring. These new morphine derivatives have improved analgesic and narcotic properties.

  吗啡衍生物的化学式为 其中： A¹代表-O-，-S-，-NR⁴-或-CHR⁵-； A²代表-O-，-S-或-NR⁴-； R¹代表C₁-C₄烷基，C₁-C₄烯基或环烷基甲基； R²代表H，C₁-C₆烷基，C₁-C₆烯基，C₁-C₈酰基或C₁-C₆羟基烷基； X¹和X²中的一个代表H，另一个是一个基团-A³-R³； A³代表-CH₂-，-CH₂CH₂-，-OCH₂-，-SCH₂-，-NR⁴CH₂-，-CO-，-NR⁴CO-，-SCO-，-SO₂-，-NR⁴SO₂-，-O-，-S-或-NR⁴-； R³代表一个可选择取代的杂环基团； R⁴和R⁵独立地代表H或C₁-C₄烷基； 吗啡环系统可能具有进一步的不饱和度，除了苯环。 这些新的吗啡衍生物具有改善的镇痛和麻醉特性。
• [EN] PROCESS<br/>[FR] PROCÉDÉ
  申请人：JOHNSON MATTHEY PLC

  公开号：WO2019102175A1

  公开（公告）日：2019-05-31

  The present invention provides a process for the preparation of a compound of formula (2) : the process comprising reacting a compound of formula (1), a base and an alkylating agent R4-X in a nitrile-containing polar aprotic solvent to form the compound of formula (2), wherein the process is carried out at a temperature greater than 60 °C; and wherein R1, R2, R3, R4, and X are as defined in the specification.

  本发明提供了一种制备式（2）化合物的方法：该方法包括在含有腈类极性非质子溶剂的条件下，将式（1）化合物、碱和烷基化剂R4-X反应，以形成式（2）化合物，其中该方法在大于60°C的温度下进行；其中R1、R2、R3、R4和X如规范中所定义。
• Morphinans useful for treating medical disorders
  申请人：Humanwell Pharmaceutical US

  公开号：US11214577B2

  公开（公告）日：2022-01-04

  The present invention related to novel morphinans, compositions comprising the novel morphinans, and their uses as agonists of the kappa opioid receptor.

  本发明涉及新型吗啡烷、包含新型吗啡烷的组合物及其作为卡巴阿片受体激动剂的用途。
• DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC
  申请人：COROT Claire

  公开号：US20070098631A2

  公开（公告）日：2007-05-03

  The present invention concerns a diagnostic compound of formula (SCAFFOLD) n1 -(LINKER) n3 -(SIGNAL) n2 -(M),  (E) wherein SCAFFOLD is chosen in table 2: namely Biphenyl; Arylpiperidine; Arylpiperazine; 1,4 dyhydropyridine; Dihydropyrimidone; 1,4 benzodiazepine-2-one; 1,5 benzodiazepine-2-one; 1,4-benzodiazepine-2,5 diones; pyrrolo2,1-c 1,4 benzodiazepines 5,11 diones; 1,4 benzothiazepine-5-ones; 5,11-dihydro-benzo pyrido 3,2b 1,4 diazepine-6-ones Benzopyrane; Chromone; Benzopyranone; Coumarine, pyranocoumarine Benzopiperazinones; Quinazolinone; Quinazolindione; Quinoxalinone Imidazoquinoxaline; indole; Benzimidazole Benzofurane Benzothiophene; SIGNAL is a signal entity for medical imaging diagnostic, and pharmaceutically acceptable salts thereof.
• NOVEL MORPHINANS USEFUL FOR TREATING MEDICAL DISORDERS
  申请人：Humanwell Pharmaceutical US

  公开号：US20200308185A1

  公开（公告）日：2020-10-01

  The present invention related to novel morphinans, compositions comprising the novel morphinans, and their uses as agonists of the kappa opioid receptor.