化合物 T13451L | 887375-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 化合物 T13451L
• 英文名称: Mapracorat
• 英文别名: BOL-303242-X；ZK 245186；(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• CAS: 887375-26-0
• 化学式: C₂₅H₂₆F₄N₂O₂
• 分子量: 462.487
• InChiKey: VJGFOYBQOIPQFY-XMMPIXPASA-N

物化性质

• 沸点：
  602.1±55.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：≥ 50.6 mg/mL（109.41 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 储存条件：
  2-8℃

制备方法与用途

Mapracorat 是一种新型的、非甾类的选择性激动剂。

反应信息

• 作为产物：
  描述：

  5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline 生成 (+)-5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline 、 化合物 T13451L
  参考文献：
  名称：

  WO2006/50998

  摘要：

  公开号：

文献信息

• 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents
  申请人：Jaroch Stefan

  公开号：US20060116396A1

  公开（公告）日：2006-06-01

  Compounds of general formula (IIa) or (IIb) and their use as pharmaceutical agents.

  通式为（IIa）或（IIb）的化合物及其作为药物的用途。
• PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF
  申请人：SCHWEIZER Steffen

  公开号：US20120035371A1

  公开（公告）日：2012-02-09

  The current invention describes novel chiral synthetic routes and intermediates for the manufacture of chiral anti-inflammatory agents of general formula VIII in which at least one of the groups X 1 , X 2 , X 3 is selected from fluoro, chloro, bromo, hydroxy, methoxy, ethoxy, trifluoromethyl, amino whereas the other groups X 1 , X 2 , X 3 have the meaning of a hydrogen atom, in which at least one of the groups Z 1 , Z 2 , Z 3 is selected from —O—, —S—, —NH—, —N(—CH 3 )—, whereas the other groups Z 1 , Z 2 , Z 3 have the meaning of a —CH 2 — group, and in which Ar is an aromatic group.

  当前发明描述了新的手性合成路线和中间体，用于制造通式VIII的手性抗炎药物，其中至少有一个X1、X2、X3中的基团被选择为氟、氯、溴、羟基、甲氧基、乙氧基、三氟甲基、氨基，而另外的X1、X2、X3基团则具有氢原子的含义，其中至少有一个Z1、Z2、Z3中的基团被选择为—O—、—S—、—NH—、—N(—CH3)—，而另外的Z1、Z2、Z3基团则具有—CH2—基团的含义，其中Ar是芳香族基团。
• Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof
  申请人：Intendis GmbH

  公开号：US20140200354A1

  公开（公告）日：2014-07-17

  The current invention describes novel chiral synthetic routes and intermediates for the manufacture of chiral anti-inflammatory agents of general formula VIII in which at least one of the groups X 1 , X 2 , X 3 is selected from fluoro, chloro, bromo, hydroxy, methoxy, ethoxy, trifluoromethyl, amino whereas the other groups X 1 , X 2 , X 3 have the meaning of a hydrogen atom, in which at least one of the groups Z 1 , Z 2 , Z 3 is selected from —O—, —S—, —N(—CH 3 )—, whereas the other groups Z 1 , Z 2 , Z 3 have the meaning of a —CH 2 — group, and in which Ar is an aromatic group.

  当前的发明描述了新型手性合成路线和中间体，用于制造通式VIII的手性抗炎药物，其中至少有一个X1、X2、X3中的基团被选择为氟、氯、溴、羟基、甲氧基、乙氧基、三氟甲基、氨基，而其他的基团X1、X2、X3的含义是氢原子，其中至少有一个Z1、Z2、Z3中的基团被选择为—O—、—S—、—N(—CH3)—，而其他的基团Z1、Z2、Z3的含义是—CH2—基团，其中Ar是芳香基团。
• Pharmaceutical composition for topical application of poorly soluble compounds
  申请人：Intendis GmbH

  公开号：EP2016935A1

  公开（公告）日：2009-01-21

  The present invention provides a formulation which contains a poorly water soluble pharmaceutically active compound at a concentration of 50 mg per 100 g formulation or above. The solubility is achieved by a mixture of solvents as described herein. Moreover the formulation as described herein may be used as a base formulation to generate a cream, an ointment, a spray, a foam or an oleogel.

  本发明提供了一种制剂，它含有一种水溶性较差的药物活性化合物，浓度为每 100 克制剂 50 毫克或以上。这种溶解度是通过本文所述的混合溶剂实现的。此外，本文所述的制剂还可用作基础制剂，生成膏霜、软膏、喷雾剂、泡沫或油凝胶。
• A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS)
  申请人：St. Anna Kinderkrebsforschung

  公开号：EP3632461A1

  公开（公告）日：2020-04-08

  Disclosed is a group of chimeric antigen receptors (CARs) consisting of two, three or four CAR molecules, wherein the members of the group of CARs can be different or identical in their amino acid sequences to one another, and wherein each of the CAR molecules of the group comprise at least a transmembrane domain and an ectodomain comprising either an antigen binding moiety or a binding site to which another polypeptide is able to bind, wherein the another polypeptide comprises an antigen binding moiety; wherein each CAR molecule of the group comprises at least one dimerization domain, wherein this dimerization of a pair of dimerization domains is either induced by a regulating molecule and optionally reduced by another regulating molecule, or occurs in the absence of a regulating molecule and is reduced by a regulating molecule, and wherein the ectodomain of each CAR molecule of the group in its prevalent conformation is free of cysteine amino acid moieties which are able to form intermolecular disulphide bonds with other CAR molecules of the group, respectively, and wherein the antigen binding moieties of the CAR molecules of the group and of the other polypeptides being able to bind to the CAR molecules of the group are either specific for one target antigen or for a non-covalent or a covalent complex of different target antigens.

  公开了一组嵌合抗原受体（CAR），由两个、三个或四个 CAR 分子组成、 其中，该组 CAR 成员的氨基酸序列可以彼此不同或相同，以及 其中该组的每个 CAR 分子至少包括一个跨膜结构域和一个外结构域，该结构域包括抗原结合分子或另一种多肽可与之结合的结合位点，其中另一种多肽包括抗原结合分子； 其中该组的每个 CAR 分子包括至少一个二聚化结构域，一对二聚化结构域的这种二聚化或者由调节分子诱导并可选地被另一个调节分子降低，或者在没有调节分子的情况下发生并被调节分子降低，以及 其中，该组每个 CAR 分子的外结构域在其盛行构象中不含半胱氨酸氨基酸分子，而半胱氨酸氨基酸分子可分别与该组其他 CAR 分子形成分子间二硫键，以及 其中，该组 CAR 分子和能与该组 CAR 分子结合的其他多肽的抗原结合分子对一种靶抗原或不同靶抗原的非共价或共价复合物具有特异性。