N-[4-[(1R)-2-乙基-1-(1H-1,2,4-三唑-1-基)丁基]苯基]-2-苯并噻唑胺 | 870093-23-5

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: N-[4-[(1R)-2-乙基-1-(1H-1,2,4-三唑-1-基)丁基]苯基]-2-苯并噻唑胺
• 中文别名: 他拉罗唑
• 英文名称: (R)-Talarozole
• 英文别名: N-[4-[(1R)-2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
• CAS: 870093-23-5
• 化学式: C₂₁H₂₃N₅S
• 分子量: 377.5
• InChiKey: SNFYYXUGUBUECJ-HXUWFJFHSA-N

物化性质

• 沸点：
  561.0±60.0 °C(Predicted)
• 密度：
  1.26
• 溶解度：
  二甲基亚砜：≥ 51 mg/mL（135.10 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE
  申请人：UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION

  公开号：US20160200703A1

  公开（公告）日：2016-07-14

  The present disclosure is generally directed to compositions and methods for treating diseases that are ameliorated by the inhibition of CYP26 mediated retinoic acid metabolism. The compositions comprise compounds of formula (I). A repreid50000060307390 IB/345 nullsents aryl optionally substituted with one, two, three, or four groups that are each independently halogen, cyano, nitro, C 1-6 alkyl, C 1-6 haloalkyl, —NH 2 , —NH(C 1 -C 6 alkyl), —N(C 1 -C 6 alkyl) 2 , —OH, C 1 -C 6 alkoxy, and C 1 -C 6 haloalkoxy; X is a bond, —CH 2 —, —CHR 5 —, —C═CHR 4 —, —NR 4 —, —N═O—R 4 —, —O—, —S—, —SO—, —SO 2 —, —C(O)—, or —C(NR 4 )—, or X is of formula (a), (b) or (c), wherein each n is independently 1, 2, or 3; each R 4 is independently hydrogen or C 1-6 alkyl; R 5 is independently hydrogen, C 1-6 alkyl, or —OR 6 , where R 6 is selected from the group consisting of hydrogen, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyL C 3-12 cycloalkyl, heterocyclyl, aryl, arylC 1-6 alkyl, heteroaryl, or heteroarylC 1-6 alkyl; Y is C 1-6 alkylene, C 2-6 alkenylene, or C 2-6 alkylylene moiety.

  本公开涉及的是组合物和治疗方法，用于治疗通过抑制CYP26介导的视黄酸代谢而改善的疾病。这些组合物包括公式（I）的化合物。其中，芳基可选地取代为一个、两个、三个或四个基团，每个基团独立地为卤素、氰基、硝基、C1-6烷基、C1-6卤代烷基、-NH2、-NH（C1-C6烷基）、-N（C1-C6烷基）2、-OH、C1-C6烷氧基和C1-C6卤代烷氧基；X为键，-CH2-，-CHR5-，-C═CHR4-，-NR4-，-N═O-R4-，-O-，-S-，-SO-，-SO2-，-C（O）-或-C（NR4）-，或X为公式（a）、（b）或（c），其中每个n独立地为1、2或3；每个R4独立地为氢或C1-6烷基；每个R5独立地为氢、C1-6烷基或-OR6，其中R6选自由氢基、C1-6烷基、C2-6烯基、C2-6炔基、C3-12环烷基、杂环基、芳基、芳基C1-6烷基、杂芳基或杂芳基C1-6烷基；Y为C1-6烷基、C2-6烯基或C2-6烷基亚基。
• Reversing intestinal inflammation by inhibiting retinoic acid metabolism
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US10039751B2

  公开（公告）日：2018-08-07

  An agent that increases local concentration of retinoic acid (RA) in the intestine through modifying enzymatic pathways involved in RA metabolism is administered in a dose effective to inhibit or reverse production of inflammatory mediators by intestinal dendritic cells and thereby reduce intestinal inflammation and tumor growth associated with intestinal inflammation.

  通过改变参与维甲酸代谢的酶途径来增加肠道内维甲酸（RA）局部浓度的制剂，其给药剂量可有效抑制或逆转肠道树突状细胞产生的炎症介质，从而减轻肠道炎症和与肠道炎症相关的肿瘤生长。
• Method for making human pluripotent suspension cultures and cells derived therefrom
  申请人：Janssen Biotech, Inc.

  公开号：US10370644B2

  公开（公告）日：2019-08-06

  The present invention provides methods of preparing aggregated pluripotent stem cell clusters for differentiation. Specifically, the invention discloses methods of differentiating pluripotent cells into beta cell, cardiac cell and neuronal cell lineages using suspension clustering. The methods involve preparing the aggregated cell clusters followed by differentiation of these clusters.

  本发明提供了制备用于分化的聚集多能干细胞簇的方法。具体而言，本发明公开了利用悬浮聚类将多能细胞分化成β细胞、心脏细胞和神经元细胞系的方法。这些方法包括制备聚集细胞簇，然后对这些细胞簇进行分化。
• Talarazole metabolites
  申请人：Barrett Debra

  公开号：US20100292284A1

  公开（公告）日：2010-11-18

  Novel metabolites of talarazole of formula (I) have been isolated and characterized, wherein R═H, OH, OSO 3 H or O-gly; R 1 , ═H, OH, OSO 3 H, O-gly or =0; and gly=a glucuronate, or a pharmaceutically acceptable salt thereof. These compounds are targeted for the treatment of various skin-, hair- and nail-associated disorders.
• TALARAZOLE METABOLITES
  申请人：BARRETT Debra

  公开号：US20120283204A1

  公开（公告）日：2012-11-08

  Novel metabolites of talarazole of formula (I) have been isolated and characterized, wherein R═H, OH, OSO 3 H or O-gly; R 1 , ═H, OH, OSO 3 H, O-gly or =0; and gly=a glucuronate, or a pharmaceutically acceptable salt thereof. These compounds are targeted for the treatment of various skin-, hair- and nail-associated disorders.