1,3-propyl bis(ethylurea) | 21761-72-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1,3-propyl bis(ethylurea)
• 英文别名: 1-Ethyl-3-[3-(ethylcarbamoylamino)propyl]urea
• CAS: 21761-72-8
• 化学式: C₉H₂₀N₄O₂
• 分子量: 216.283
• InChiKey: YSTSLWCROCWGNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-propyl bis(ethylurea) 在 溴 、 三乙胺 、 三苯基膦 作用下， 以43.4%的产率得到
  参考文献：
  名称：

  Syntheses and Structures of Bis-Amidinate–Alane Complexes

  摘要：

  Insertion reactions of alpha,omega-bis-carbodiimides (RNCN)(2)X (1-5: R = Et, t-Bu, Ph; X = C3H6, C4H8) with 2 equiv of AlMe3 yielded the dinuclear tethered bis-amidinate-alane complexes [RNC(Me)NAlMe2](2)X (R = Et, X = C4H8 (6); R = t-Bu, X = C3H6 (7), C4H8 (8)). Analogous reactions with 4 equiv of AlMe3 resulted in the coordination of two additional AlMe3 molecules, yielding the tetranuclear bis-amidinate complexes [EtN(AlMe3)C(Me)NAlMe2](2)X (X = C3H6 (9), C4H8 (10)) and [t-BuNC(Me)N(AlMe3)AlMe2](2)X (X = C3H6 (11), C4H8 (12)). In addition, equimolar reactions between (RNCN)(2)X (R = Et, X = C3H6, C4H8; R = Ph, X = C4H8) and 2 equiv of AlMe3 at elevated temperatures occurred with intramolecular cyclization and formation of [EtNC(Me)NC3H6N(AlMe3)CNEt]AlMe2 (13) and [RNC(Me)NC4H8N(AlMe3)CNR]AlMe2 (R = Et (14), Ph (15)). Hydrolysis of 11 gave the protonated free ligand PhNC(Me)NC4H8N(H)CNPh (16) in high yield. 6-6 were characterized by elemental analyses, multinuclear NMR (H-1, C-13) and IR spectroscopy, and single-crystal X-ray diffraction (7, 10-14, 16).

  DOI：

  10.1021/om5002217
• 作为产物：
  描述：

  1,3-丙二胺 、 异氰酸乙酯 反应 2.0h， 以94.7%的产率得到1,3-propyl bis(ethylurea)
  参考文献：
  名称：

  Syntheses and Structures of Bis-Amidinate–Alane Complexes

  摘要：

  Insertion reactions of alpha,omega-bis-carbodiimides (RNCN)(2)X (1-5: R = Et, t-Bu, Ph; X = C3H6, C4H8) with 2 equiv of AlMe3 yielded the dinuclear tethered bis-amidinate-alane complexes [RNC(Me)NAlMe2](2)X (R = Et, X = C4H8 (6); R = t-Bu, X = C3H6 (7), C4H8 (8)). Analogous reactions with 4 equiv of AlMe3 resulted in the coordination of two additional AlMe3 molecules, yielding the tetranuclear bis-amidinate complexes [EtN(AlMe3)C(Me)NAlMe2](2)X (X = C3H6 (9), C4H8 (10)) and [t-BuNC(Me)N(AlMe3)AlMe2](2)X (X = C3H6 (11), C4H8 (12)). In addition, equimolar reactions between (RNCN)(2)X (R = Et, X = C3H6, C4H8; R = Ph, X = C4H8) and 2 equiv of AlMe3 at elevated temperatures occurred with intramolecular cyclization and formation of [EtNC(Me)NC3H6N(AlMe3)CNEt]AlMe2 (13) and [RNC(Me)NC4H8N(AlMe3)CNR]AlMe2 (R = Et (14), Ph (15)). Hydrolysis of 11 gave the protonated free ligand PhNC(Me)NC4H8N(H)CNPh (16) in high yield. 6-6 were characterized by elemental analyses, multinuclear NMR (H-1, C-13) and IR spectroscopy, and single-crystal X-ray diffraction (7, 10-14, 16).

  DOI：

  10.1021/om5002217

文献信息

• [EN] DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE<br/>[FR] DÉGRADATION DE LA TYROSINE KINASE DE BRUTON (BTK) PAR CONJUGAISON D'INHIBITEURS DE BTK AVEC UN LIGAND DE LIGASE E3 ET PROCÉDÉS D'UTILISATION
  申请人：BEIGENE LTD

  公开号：WO2021018018A1

  公开（公告）日：2021-02-04

  Disclosed herein are novel bifunctional compounds formed by conjugating BTK inhibitor moieties with E3 ligase Ligand moieties, which function to recruit targeted proteins to E3 ubiquitin ligase for degradation, and methods of preparation and uses thereof.

  本文披露了一种新型的双功能化合物，通过将BTK抑制剂部分与E3连接酶配体部分结合形成，其功能是将靶向蛋白质招募到E3泛素连接酶进行降解，并公开了其制备方法和用途。
• [EN] DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE<br/>[FR] DÉGRADATION DE LA TYROSINE KINASE DE BRUTON (BTK) PAR CONJUGAISON D'INHIBITEURS DE BTK AVEC UN LIGAND DE LIGASE E3 ET PROCÉDÉS D'UTILISATION
  申请人：BEIGENE LTD

  公开号：WO2021180103A1

  公开（公告）日：2021-09-16

  Disclosed herein are novel bifunctional compounds formed by conjugating BTK inhibitor moieties with E3 ligase Ligand moieties, which function to recruit targeted proteins to E3 ubiquitin ligase for degradation, and methods of preparation and uses thereof.

  本文披露了一种新型的双功能化合物，该化合物由结合BTK抑制剂部分和E3连接酶配体部分形成，其功能是将靶向蛋白质招募到E3泛素连接酶进行降解，以及其制备方法和用途。
• COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM
  申请人：Daubresse Nicolas

  公开号：US20100242188A1

  公开（公告）日：2010-09-30

  The present invention relates to a composition for colouring keratinous materials. The composition contains in an appropriate medium at least one supra-molecular colouring system of the type (COLORANT) n (SAU) m (I), in which (COLORANT) is any chromophore having a maximal absorption of between 300 nm and 1200 nm covalently bonded to (SAU), and (SAU) represents an acceptor/donor radical capable of forming at least three hydrogen bonds. The invention provides a resistant and varied colouration of keratinous materials.

  本发明涉及一种用于着色角质形成物的组合物。该组合物包含在适当介质中至少一种类型为（COLORANT）n（SAU）m（I）的超分子着色系统，其中（COLORANT）是任何具有最大吸收波长在300nm至1200nm之间的色团，与（SAU）共价结合，（SAU）表示一种能够形成至少三个氢键的受体/给体基团。本发明提供了对角质形成物的抗性和多样化着色。