3-{1-[trans-4-(ethyloxy)cyclohexyl]-4-piperidinyl}-5-methyl-1,3-benzoxazol-2(3H)-one hydrochloride | 1134196-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 3-{1-[trans-4-(ethyloxy)cyclohexyl]-4-piperidinyl}-5-methyl-1,3-benzoxazol-2(3H)-one hydrochloride
• CAS: 1134196-43-2
• 化学式: C₂₁H₃₀N₂O₃*ClH
• 分子量: 394.942
• InChiKey: UNDODVDDYRVTCC-AELULUIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  47.61
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-{1-[trans-4-(ethyloxy)cyclohexyl]-4-piperidinyl}-5-methyl-1,3-benzoxazol-2(3H)-one 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 0.25h， 生成 3-{1-[trans-4-(ethyloxy)cyclohexyl]-4-piperidinyl}-5-methyl-1,3-benzoxazol-2(3H)-one hydrochloride
  参考文献：
  名称：

  [EN] COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE
  [FR] COMPOSÉS PRÉSENTANT UNE ACTIVITÉ AU NIVEAU DU RÉCEPTEUR M1 ET LEURS UTILISATIONS EN MÉDECINE

  摘要：

  提供具有公式(I)或其盐的化合物：其中R4、R5、R6、Q、A、Y和R按描述定义。披露了这些化合物作为药物的使用和在制造用于治疗精神病性障碍、认知障碍和阿尔茨海默病药物中的应用。本发明还公开了包含这些化合物的药物组合物。

  公开号：

  WO2009037294A1

文献信息

• METHODS FOR PRODUCING PHENYLALANINE DERIVATIVES HAVING A QUINAZOLINEDIONE SKELETON AND INTERMEDIATES FOR PRODUCTION THEREOF
  申请人：Kataoka Noriyasu

  公开号：US20100204505A1

  公开（公告）日：2010-08-12

  The present invention provides a method for producing a phenylalanine derivative(s) having a quinazolinedione ring of formula (5), including steps comprising of reacting an acylphenylalanine derivative(s) of formula (1) with a carbonyl group-introducing reagent(s) and a derivative(s) of anthranilic acid to form an asymmetric urea intermediate(s); making the asymmetric urea intermediate(s) into a quinazolinedione compound(s) of formula (4) in the presence of a base(s); and N-alkylating quinazolinedione ring amide of the obtained quinazolinedione compounds with N-alkylation agents. This production method is an industrially applicable method for producing phenylalanine derivatives having a quinazolinedione skeleton, which are compounds highly useful as drugs having α 4 integrin inhibiting activity. In the formulae (1) and (5), R1 represents a phenyl group having a substituent(s) and the like, R2 represents an alkyl group and the like, R3 represents a dialkylamino group and the like, and R4 represents an alkyl group and the like.

  本发明提供了一种制备具有公式（5）的喹唑啉二酮环的苯丙氨酸衍生物的方法，包括以下步骤：将公式（1）的酰基苯丙氨酸衍生物与羰基引入试剂和蒽酸衍生物反应，形成不对称脲中间体；在碱的存在下将不对称脲中间体制成公式（4）的喹唑啉二酮化合物；并用N-烷基化试剂对所得喹唑啉二酮化合物的喹唑啉二酮环酰胺进行N-烷基化。该制备方法是一种工业上适用的制备苯丙氨酸衍生物的方法，这些衍生物具有α4整合素抑制活性，是非常有用的药物化合物。在公式（1）和（5）中，R1代表具有取代基等的苯基，R2代表烷基等，R3代表二烷基胺基等，R4代表烷基等。
• Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof
  申请人：Kataoka Noriyasu

  公开号：US20060009476A1

  公开（公告）日：2006-01-12

  The present invention provides a method for producing a phenylalanine derivative(s) having a quinazolinedione ring of formula (5), including steps comprising of reacting an acylphenylalanine derivative(s) of formula (1) with a carbonyl group-introducing reagent(s) and a derivative(s) of anthranilic acid to form an asymmetric urea intermediate(s); making the asymmetric urea intermediate(s) into a quinazolinedione compound(s) of formula (4) in the presence of a base(s); and N-alkylating quinazolinedione ring amide of the obtained quinazolinedione compounds with N-alkylation agents. This production method is an industrially applicable method for producing phenylalanine derivatives having a quinazolinedione skeleton, which are compounds highly useful as drugs having α 4 integrin inhibiting activity. In the formulae (1) and (5), R1 represents a phenyl group having a substituent(s) and the like, R2 represents an alkyl group and the like, R3 represents a dialkylamino group and the like, and R4 represents an alkyl group and the like.

  本发明提供了一种生产具有公式（5）的喹唑啉二酮环的苯丙氨酸衍生物的方法，包括以下步骤：将公式（1）的酰基苯丙氨酸衍生物与羰基引入试剂和蒽醌酸衍生物反应，形成不对称脲中间体；在碱的存在下，将不对称脲中间体制备成公式（4）的喹唑啉二酮化合物；将所得的喹唑啉二酮化合物的喹唑啉二酮环酰胺进行N-烷基化反应。该生产方法是一种工业上可应用的方法，用于生产具有喹唑啉骨架的苯丙氨酸衍生物，这些化合物作为具有α4整合素抑制活性的药物非常有用。在公式（1）和（5）中，R1表示具有取代基的苯基或类似物，R2表示烷基或类似物，R3表示二烷基氨基基团或类似物，R4表示烷基或类似物。
• Compounds which have activity at M1 receptor and their uses in medicine
  申请人：Cooper David Gwyn

  公开号：US20100204272A1

  公开（公告）日：2010-08-12

  Compounds of formula (I) or a salt thereof are provided: wherein R 4 , R 5 , R 6 , Q, A, Y and R are as defined in the description. Uses of the compounds as medicaments and in the manufacture of medicaments for treating psychotic disorders, cognitive impairments and Alzheimer's Disease are disclosed. The invention further discloses pharmaceutical compositions comprising the compounds.

  本发明提供了化学式(I)的化合物或其盐：其中R4，R5，R6，Q，A，Y和R的定义如说明书中所定义。本发明还揭示了将该化合物用作药物以及制造用于治疗精神障碍，认知障碍和阿尔茨海默病的药物的用途。本发明还揭示了包含该化合物的制药组合物。
• Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine
  申请人：Cooper David Gwyn

  公开号：US20120316196A1

  公开（公告）日：2012-12-13

  Compounds of formula (I) or a salt thereof are provided: wherein R 4 , R 5 , R 6 , Q, A, Y and R are as defined in the description. Uses of the compounds as medicaments and in the manufacture of medicaments for treating psychotic disorders, cognitive impairments and Alzheimer's Disease are disclosed. The invention further discloses pharmaceutical compositions comprising the compounds.

  提供化学式(I)的化合物或其盐： 其中R4、R5、R6、Q、A、Y和R的定义如说明书所述。本发明还公开了将该化合物用作药物治疗精神疾病、认知障碍和阿尔茨海默病以及制造药物的用途。本发明还公开了包含该化合物的制药组合物。
• PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME
  申请人：Ajinomoto Co., Inc.

  公开号：EP1595870B1

  公开（公告）日：2015-09-23