4-Morpholino-N-isopropyl-anilin | 13143-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-Morpholino-N-isopropyl-anilin
• 英文别名: N-(p-Isopropylaminophenyl)morpholin；4--morpholin；N-isopropyl-4-morpholin-4-yl-aniline；4-(morpholin-4-yl)-N-(propan-2-yl)aniline；4-morpholin-4-yl-N-propan-2-ylaniline
• CAS: 13143-61-8
• 化学式: C₁₃H₂₀N₂O
• mdl: MFCD11161749
• 分子量: 220.315
• InChiKey: WYZBSJRPNJGDJW-UHFFFAOYSA-N

物化性质

• 熔点：
  101-103 °C
• 沸点：
  377.5±37.0 °C(Predicted)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Morpholino-N-isopropyl-anilin 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.5h， 生成 2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-(4-morpholin-4-ylphenyl)-N-propan-2-ylacetamide
  参考文献：
  名称：

  Discovery of 1,5-Benzodiazepines with Peripheral Cholecystokinin (CCK-A) Receptor Agonist Activity. 1. Optimization of the Agonist “Trigger”

  摘要：

  Directed screening of compounds selected from the Glare registry file for contractile activity on the isolated guinea pig gallbladder (GPGB) identified a series of 1,5-benzodiazepines with peripheral cholecystokinin (CCK) receptor agonist activity. Agonist efficacy within this series was modulated by variation of substituents on the N1-anilinoacetamide moiety. Remarkably, a single methyl group confers agonist activity, with an N-isopropyl substituent providing optimal efficacy. Hydrophilic substituents on the anilino nitrogen abolish agonist activity or produce antagonists of CCK. In contrast, hydrophilic electron-donating groups at the para-position of the anilino ring enhance or maintain in vitro and in vivo agonist activity. Despite decreased affinity for the human CCK-A receptor, relative to CCK-8, some of these compounds are equipotent to CCK as anorectic agents in rats following intraperitoneal administration.

  DOI：

  10.1021/jm950626d

文献信息

• [EN] SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS<br/>[FR] ANALOGUES DE N-(3-(PYRIMIDINE-4-YL)PHÉNYL)ACRYLAMIDE SUBSTITUÉS EN TANT QU'INHIBITEURS DU RÉCEPTEUR TYROSINE KINASE BTK
  申请人：UNIV UTAH RES FOUND

  公开号：WO2012135801A1

  公开（公告）日：2012-10-04

  In one aspect, the invention relates to substituted N-(3-(pyrimidin-4- yl)phenyl)acrylamide analogs, derivatives thereof, and related compounds, which are useful as inhibitors of the BTK kinase; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions to treat disorders associated with dysfunction of the BTK kinase. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，该发明涉及替代N-(3-(嘧啶-4-基)苯基)丙烯酰胺类似物，其衍生物和相关化合物，这些化合物可用作BTK激酶的抑制剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与BTK激酶功能障碍相关的疾病的方法。本摘要旨在作为在特定领域搜索的扫描工具，并不打算限制本发明。
• [EN] NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION<br/>[FR] ANALOGUES DE CYCLOSPORINE POUR PRÉVENIR OU TRAITER UNE INFECTION PAR L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2016073480A1

  公开（公告）日：2016-05-12

  The present invention relates to novel cyclosporine analogues having antiviral activity against HCV and useful in the treatment of HCV infections. More particularly, the invention relates to novel cyclosporine analogue compounds, compositions containing such compounds and methods for using the same, as well as processes for making such compounds.

  本发明涉及新型环孢霉素类似物，具有针对HCV的抗病毒活性，并可用于治疗HCV感染。更具体地，本发明涉及新型环孢霉素类似物化合物，含有这样的化合物的组合物以及使用它们的方法，以及制备这样的化合物的过程。
• Viral Polymerase Inhibitors
  申请人：Beaulieu Louis Pierre

  公开号：US20070142380A1

  公开（公告）日：2007-06-21

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein A, B, R 2 , R 3 , L, M 1 , M 2 , M 3 , M 4 , Y 1 , Y 0 , Z and Sp are as defined in claim 1 , or a salt thereof, as an inhibitor of HCV NS5B polymerase.

  一种化合物的同分异构体、对映异构体、非对映异构体或互变异构体，其化学式为I：其中A、B、R2、R3、L、M1、M2、M3、M4、Y1、Y0、Z和Sp如权利要求1所定义，或其盐，作为HCV NS5B聚合酶的抑制剂。
• HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS
  申请人：Babu Yarlagadda S.

  公开号：US20120309773A1

  公开（公告）日：2012-12-06

  The invention provides compounds of formula I: or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I, and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula I.

  本发明提供公式I的化合物：或其盐，如本文所述。本发明还提供包含公式I化合物的药物组合物，制备公式I化合物的方法，用于抑制免疫反应或治疗癌症或血液恶性肿瘤的治疗方法，使用公式I化合物的中间体有助于制备公式I化合物。
• [EN] METHOD FOR PREVENTING OR TREATING DISEASE OR CONDITION ASSOCIATED WITH ANTITUMOR AGENT<br/>[FR] PROCÉDÉ DE PRÉVENTION OU DE TRAITEMENT D'UNE MALADIE OU D'UN ÉTAT ASSOCIÉ À UN AGENT ANTITUMORAL<br/>[ZH] 预防或治疗抗肿瘤剂相关疾病或病症的方法
  申请人：[en]ONQUALITY PHARMACEUTICALS CHINA LTD.;[zh]上海岸阔医药科技有限公司

  公开号：WO2022143628A1

  公开（公告）日：2022-07-07

  一种JAK抑制剂在制备药物中的用途，所述药物用于预防和/或治疗受试者中抗肿瘤剂相关的疾病或病症。还提供了包含所述JAK抑制剂的药物组合物和试剂盒。