di-n-propyl 4-oxa-1,7-heptanedioate | 17615-28-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di-n-propyl 4-oxa-1,7-heptanedioate
• 英文别名: dipropyl 3,3'-oxydipropanoate；4-oxa-heptanedioic acid dipropyl ester；Bis-(2-propoxycarbonyl-aethyl)-aether；4-Oxa-heptandisaeure-dipropylester；Dipropyl 3,3'-oxydipropionate；propyl 3-(3-oxo-3-propoxypropoxy)propanoate
• CAS: 17615-28-0
• 化学式: C₁₂H₂₂O₅
• 分子量: 246.304
• InChiKey: LGSBJCLATVCFNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  di-n-propyl 4-oxa-1,7-heptanedioate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到3-(3-羟基丙氧基)丙-1-醇
  参考文献：
  名称：

  3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF

  摘要：

  本公开提供了化合物Formula (I′)的一种： 或其药用可接受的盐、水合物、溶剂合物、前药、立体异构体或互变异构体，其中R x 、X 1 、X 2 和R 1 如本文所定义，并提供了制备和使用该化合物的方法。

  公开号：

  US20200017461A1
• 作为产物：
  描述：

  丙醇 、 氰乙基纤维素 在 对甲苯磺酸 作用下， 以59%的产率得到di-n-propyl 4-oxa-1,7-heptanedioate
  参考文献：
  名称：

  3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF

  摘要：

  本公开提供了化合物Formula (I′)的一种： 或其药用可接受的盐、水合物、溶剂合物、前药、立体异构体或互变异构体，其中R x 、X 1 、X 2 和R 1 如本文所定义，并提供了制备和使用该化合物的方法。

  公开号：

  US20200017461A1

文献信息

• 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof
  申请人：Novartis AG

  公开号：US11192877B2

  公开（公告）日：2021-12-07

  The present disclosure provides a compound of Formula (I′): or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, stereoisomer, or tautomer thereof, wherein Rx, X1, X2, and R1 are as defined herein, and methods of making and using same.

  本公开提供了一种式(I′)化合物： 或其药学上可接受的盐、水合物、溶液、原药、立体异构体或同系物，其中 Rx、X1、X2 和 R1 如本文所定义，以及制造和使用它们的方法。
• Using the Electrostatic Field Effect to Design a New Class of Inhibitors for Cysteine Proteases
  作者：Jeffrey L. Conroy、Tanya C. Sanders、Christopher T. Seto

  DOI：10.1021/ja9641867

  日期：1997.5.1

  A new class of competitive inhibitors for the cysteine protease papain is described. These inhibitors are based upon a 4-heterocyclohexanone ring and are designed to react with the enzyme active site nucleophile to give a reversibly formed hemithioketal. The electrophilicity of the ketone in these inhibitors is enhanced by ring strain and by through-space electrostatic repulsion with the heteroatom at the 1-position of the ring. Equilibrium constants for addition of water and 3-mercaptopropionic acid to several 4-heterocyclohexanones were measured by H-1 NMR spectroscopy. These reactions model addition of the active site nucleophile to the corresponding inhibitors. The equilibrium constants give a linear correlation with the field substituent constant F for the functional group at the 1-position of the heterocyclohexanone. These equilibrium constants also correlate well with the inhibition constants for the 4-heterocyclohexanone-based inhibitors, which range from 11 to 120 mu M. Thus, the model system can be used to predict the potency of structurally related enzyme inhibitors.
• Notes. Arenesulfonic Acids as Catalysts in the Alcholysis of Nitriles to Esters
  作者：Floyd James、William Bryan

  DOI：10.1021/jo01102a616

  日期：1958.8
• 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES
  申请人：Novartis AG

  公开号：EP3820573A1

  公开（公告）日：2021-05-19
• [EN] 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES<br/>[FR] DÉRIVÉS DE 3-(5-HYDROXY-1-OXOISOINDOLINE-2-YL)PIPÉRIDINE-2,6-DIONE ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES DÉPENDANTES DU DOIGT DE ZINC 2 DE LA FAMILLE IKAROS (IKZF2)
  申请人：NOVARTIS AG

  公开号：WO2020012334A1

  公开（公告）日：2020-01-16

  The present disclosure provides a compound of Formula (I'): or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, stereoisomer, or tautomer thereof, wherein Rx, X1, X2, and R1 are as defined herein, and its use in the treatment of IKAROS Family Zinc Finger 2 (IKZF2)-dependent diseases.