N-Isopropyl-N-aethanol-aethylendiamin | 5783-45-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-Isopropyl-N-aethanol-aethylendiamin
• 英文别名: 2-[(2-Aminoethyl)(propan-2-yl)amino]ethan-1-ol；2-[2-aminoethyl(propan-2-yl)amino]ethanol
• CAS: 5783-45-9
• 化学式: C₇H₁₈N₂O
• 分子量: 146.233
• InChiKey: PEOQOJRAUBIXEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Small-Molecule HSP90 Inhibitors
  申请人：Chiosis Gabriela

  公开号：US20110104054A1

  公开（公告）日：2011-05-05

  Hsp90 inhibitors having are provided having the formula: with a 2′,4′,5′-substitution pattern on the right-side aryl moiety. X1 represents two substituents, which may be the same or different, disposed in the 4′ and 5′ positions on the aryl group, wherein X1 is selected from halogen, alkyl, alkoxy, halogenated alkoxy, hydroxyalkyl, pyrollyl, optionally substituted aryloxy, alkylamino, dialkylamino, carbamyl, amido, alkylamido dialkylamido, acylamino, alkylsulfonylamido, trihalomethoxy, trihalocarbon, thioalkyl, SO 2- alkyl, COO-alkyl, KH 2 , OH, CN, SO 2 X 5 , NO 2 , NO, C═SR 2 NSO 2 X 5 , C═OR 2 , where X 5 is F, NH2, alkyl or H, and R 2 is alkyl, NH 2 , NH-alkyl or O-alkyl, C 1 to C 6 alkyl or alkoxy; or wherein X 1 has the formula -0-(CH 2 ) n -0-, wherein n is an integer from O to 2, preferably 1 or 2, and one of the oxygens is bonded at the 5′-position and the other at the 4′-position of the aryl ring. The compounds are useful in cancer therapy and as radioimaging ligands.

  提供具有以下公式的Hsp90抑制剂：右侧芳基基团上具有2′，4′，5′-取代模式。X1代表在芳基团上的4′和5′位置上排列的两个取代基，其中X1从卤素，烷基，烷氧基，卤代烷氧基，羟基烷基，吡咯基，可选择取代的芳氧基，烷基氨基，二烷基氨基，氨基甲酰，酰胺，烷基酰胺，二烷基酰胺，酰胺基，烷基磺酰胺基，三卤甲氧基，三卤代碳基，硫代烷基，SO2-烷基，COO-烷基，KH2，OH，CN，SO2X5，NO2，NO，C═SR2NSO2X5，C═OR2，其中X5为F，NH2，烷基或H，而R2为烷基，NH2，NH-烷基或O-烷基，C1到C6烷基或烷氧基；或其中X1具有公式-0-（CH2）n-0-，其中n是从O到2的整数，优选为1或2，其中一个氧原子与芳环的5′位置连接，另一个氧原子与芳环的4′位置连接。这些化合物在癌症治疗和放射成像配体中有用。
• SMALL-MOLECULE HSP90 INHIBITORS
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：US20140227183A1

  公开（公告）日：2014-08-14

  Hsp90 inhibitors having are provided having the formula: (I) with a 2′,4′,5′-substitution pattern on the right-side aryl moiety. X1 represents two substituents, which may be the same or different, disposed in the 4′ and 5′ positions on the aryl group, wherein X1 is selected from halogen, alkyl, alkoxy, halogenated alkoxy, hydroxyalkyl, pyrollyl, optionally substituted aryloxy, alkylamino, dialkylamino, carbamyl, amido, alkylamido dialkylamido, acylamino, alkylsulfonylamido, trihalomethoxy, trihalocarbon, thioalkyl, SO 2 alkyl, COO-alkyl, KH 2 , OH, CN, SO 2 X 5 , NO 2 , NO, C═SR 2 NSO 2 X 5 , C═OR 2 , where X 5 is F, NH2, alkyl or H, and R 2 is alkyl, NH 2 , NH-alkyl or O-alkyl, C 1 to C 6 alkyl or alkoxy; or wherein X 1 has the formula —O—(CH 2 ) n —O—, wherein n is an integer from 0 to 2, preferably 1 or 2, and one of the oxygens is bonded at the 5′-position and the other at the 4′-position of the aryl ring. The compounds are useful in cancer therapy and as radioimaging ligands.

  提供具有公式（I）的Hsp90抑制剂，其在右侧芳基基团上具有2′，4′，5′-取代模式，其中X1表示两个取代基，可以相同或不同，分别位于芳基团的4′和5′位置，其中X1从卤素，烷基，烷氧基，卤代烷氧基，羟基烷基，吡咯基，可选取代的芳氧基，烷基氨基，二烷基氨基，氨基甲酰，酰胺，烷基酰胺，二烷基酰胺，乙酰氨基，烷基磺酰氨基，三卤代甲氧基，三卤代碳，硫代烷基，SO2烷基，COO-烷基，KH2，OH，CN，SO2X5，NO2，NO，C═SR2NSO2X5，C═OR2，其中X5为F，NH2，烷基或H，而R2为烷基，NH2，NH-烷基或O-烷基，C1至C6烷基或烷氧基；或其中X1具有公式—O—（CH2）n—O—，其中n是0到2之间的整数，优选为1或2，其中一个氧原子与芳环的5′位结合，另一个氧原子与芳环的4′位结合。这些化合物在癌症治疗和放射性成像配基方面有用。
• [EN] MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE D'URÉE MACROCYCLIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2022094012A1

  公开（公告）日：2022-05-05

  The present invention is directed to macrocyclic urea compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及宏环脲化合物，其是睡觉醒来素受体的激动剂。本发明还涉及所述化合物在潜在的涉及睡觉醒来素受体的神经和精神障碍和疾病的治疗或预防中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在涉及睡觉醒来素受体的这些疾病的预防或治疗中的用途。
• Nitric oxide-releasing antibacterial polymers and scaffolds fabricated therefrom and methods pertaining thereto
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：US11421044B2

  公开（公告）日：2022-08-23

  Several embodiments of NO releasing structures are disclosed. In some embodiments, the structures are covalently modified to store and release nitric oxide. Some embodiments pertain to methods of making and use of these structures. The covalently modified polymer structures may be tailored to release nitric oxide in a controlled manner and are useful for treatment of various medical conditions.

  本文公开了几种一氧化氮释放结构的实施方案。在某些实施方案中，这些结构经过共价修饰，可储存和释放一氧化氮。一些实施方案涉及这些结构的制造和使用方法。共价修饰的聚合物结构可定制为以受控方式释放一氧化氮，可用于治疗各种病症。
• NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：US20200216571A1

  公开（公告）日：2020-07-09

  Several embodiments of NO releasing structures are disclosed. In some embodiments, the structures are covalently modified to store and release nitric oxide. Some embodiments pertain to methods of making and use of these structures. The covalently modified polymer structures may be tailored to release nitric oxide in a controlled manner and are useful for treatment of various medical conditions.