benzyl N-[[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate | 1395050-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: benzyl N-[[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
• CAS: 1395050-79-9
• 化学式: C₃₂H₃₅N₅O₄
• 分子量: 553.661
• InChiKey: JIJJAEDYERZRJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-[[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate 在 盐酸 、 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3)

  摘要：

  A new class of FLT3 inhibitors has been identified based on the 3-phenyl-1H-5-pyrazolylamine scaffold. The structure-activity relationships led to the discovery of two carbamate series, and some potent compounds within these two series exhibited better growth inhibition of FLT3-mutated MOLM-13 cells than FLT3 inhibitors sorafenib (2) and ABT-869 (3). In particular, compound 8d exhibited the ability to regress tumors in mouse xenograft model using MOLM-13 cells. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.05.116
• 作为产物：
  描述：

  benzyl N-[4-(5-amino-1H-3-pyrazolyl)benzyl]carbamate 、 4-[3-(1-Pyrrolidinyl)propoxy]benzoyl chloride 在 吡啶 作用下， 生成 benzyl N-[[4-[3-[[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
  参考文献：
  名称：

  3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3)

  摘要：

  A new class of FLT3 inhibitors has been identified based on the 3-phenyl-1H-5-pyrazolylamine scaffold. The structure-activity relationships led to the discovery of two carbamate series, and some potent compounds within these two series exhibited better growth inhibition of FLT3-mutated MOLM-13 cells than FLT3 inhibitors sorafenib (2) and ABT-869 (3). In particular, compound 8d exhibited the ability to regress tumors in mouse xenograft model using MOLM-13 cells. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.05.116

文献信息

• PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS
  申请人：Jiaang Weir-Torn

  公开号：US20120225880A1

  公开（公告）日：2012-09-06

  A compound of formula (I): wherein A, B, D, X, Y, R 1 , R 2 , R 3 , m, p, and q are defined herein. Also disclosed is a method for inhibiting FMS-like tyrosine kinase 3, aurora kinase, or vascular endothelial growth factor receptor.

  其中A、B、D、X、Y、R1、R2、R3、m、p和q的化合物的化学式（I）： 还公开了一种抑制FMS样酪氨酸激酶3、极光激酶或血管内皮生长因子受体的方法。
• MUCOADHESIVE POLYMERS HAVING VITAMIN B PARTIAL STRUCTURES
  申请人：Leierer Johannes

  公开号：US20120225024A1

  公开（公告）日：2012-09-06

  Because of the formation of disulfide bridges with mucus glycoproteins, the mucoadhesive properties of polymeric compounds can be significantly improved by the covalent attachment of thiol substructures to them. By the transformation of free thiol groups on such polymers in disulfides with mercaptonicotinamides or mercaptopyridoxins these thiol groups become comparatively more reactive resulting in significantly improved mucoadhesive properties. Furthermore, polymers exhibiting disulfide partialstructures with mercaptonicotinamides or mercaptopyridoxins do not need to be protected against oxidation. In addition, they show comparatively higher permeation enhancing properties.

  由于与黏液糖蛋白形成二硫键，聚合物化合物的粘附性能可以通过将巯基亚结构共价附加到它们上来显着改善。通过将这些聚合物上的游离巯基转化为巯基烟酰胺或巯基吡哆醇中的二硫化物，这些巯基变得更具反应性，从而显着改善了粘附性能。此外，具有巯基烟酰胺或巯基吡哆醇的二硫化物部分结构的聚合物不需要受到氧化的保护。此外，它们表现出相对较高的渗透增强性能。
• MUCOADHESIVE SOLID OR SEMISOLID OCULAR DELIVERY SYSTEMS BASED ON PREACTIVATED THIOMERS
  申请人：Bioadhésive Ophthalmics

  公开号：EP4099979A1

  公开（公告）日：2022-12-14
• US8980238B2
  申请人：——

  公开号：US8980238B2

  公开（公告）日：2015-03-17
• [EN] MUCOADHESIVE SOLID OR SEMISOLID OCULAR DELIVERY SYSTEMS BASED ON PREACTIVATED THIOMERS<br/>[FR] SYSTÈMES D'ADMINISTRATION OCULAIRE MUCOADHÉSIFS SOLIDES OU SEMI-SOLIDES À BASE DE THIOMÈRES PRÉACTIVÉS
  申请人：BIOADHESIVE OPHTHALMICS

  公开号：WO2021156435A1

  公开（公告）日：2021-08-12

  The present invention relates to mucoadhesive solid or semisolid ocular delivery systems comprising a matrix of preactivated thiomers, preferably under the form of ocular inserts or ocular films. The ocular delivery systems of the invention are useful for ocular drug delivery for the treatment of ocular diseases. The delivery systems of the invention can also be used for alleviating ocular conditions such as dry eye syndrome.