3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-3-(benzo[d][1,3]dioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one | 1334470-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-3-(benzo[d][1,3]dioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
• 英文别名: 3-(1,3-Benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one；3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
• CAS: 1334470-92-6
• 化学式: C₂₅H₂₈N₄O₃
• 分子量: 432.522
• InChiKey: YVBTXSNCCAZKMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-二甲基哌啶 、 Methyl 3-(1,3-benzodioxol-5-yl)-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoate 在 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 反应 8.0h， 生成 3-(4-(1H-1,2,4-triazol-1-yl)phenyl)-3-(benzo[d][1,3]dioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
  参考文献：
  名称：

  Amido compounds as RORγt modulators and uses thereof

  摘要：

  披露了具有以下公式表示的氨基化合物：其中Cy1、Cy2、n1、n2、R1a、R1b、R2、R3、R4、R5和R6如本文所述。这些化合物可以制备为药物组合物，并可用于预防和治疗哺乳动物，包括人类，的各种疾病，包括但不限于炎症性疾病、自身免疫疾病、癌症和移植物抗宿主病。

  公开号：

  US09765063B2

文献信息

• Water-Based Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus
  申请人：Fukaya Hideji

  公开号：US20130083116A1

  公开（公告）日：2013-04-04

  A water-based ink for inkjet recording includes a self-dispersible pigment modified by phosphate group; water; a water-soluble organic solvent; a N-hydroxy cyclic imide compound; and at least one selected from the group consisting of boric acids, a chelate agent, a reducing sugar and a sugar alcohol.

  一种用于喷墨记录的水性油墨包括一种被磷酸基改性的自分散颜料；水；一种水溶性有机溶剂；一种N-羟基环酰亚胺化合物；以及从硼酸、螯合剂、还原糖和糖醇组成的至少一种。
• [EN] AMIDO COMPOUNDS AS RORϒTMODULATORS AND USES THEREOF<br/>[FR] COMPOSÉS AMIDO EN TANT QUE MODULATEURS DE RORϒT ET LEURS UTILISATIONS
  申请人：UNIV NEW YORK

  公开号：WO2013036912A3

  公开（公告）日：2013-05-02
• AMIDO COMPOUNDS AS RORYT MODULATORS AND USES THEREOF
  申请人：New York University

  公开号：EP3002008B8

  公开（公告）日：2018-10-24
• AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF
  申请人：Littman Dan

  公开号：US20130085162A1

  公开（公告）日：2013-04-04

  Amido compounds are disclosed that have a formula represented by the following: and wherein n1, n2, R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , and R 6 are as described herein. The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, inflammatory conditions, autoimmune disorders, cancer, and graft-versus-host disease.
• AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF
  申请人：LITTMAN Dan

  公开号：US20170065606A1

  公开（公告）日：2017-03-09

  Amido compounds are disclosed that have a formula represented by the following: and wherein n1, n2, R 1a , R 1b , R 2 , R 3 , R 4 , R 5 , and R 6 are as described herein. The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, inflammatory conditions, autoimmune disorders, cancer, and graft-versus-host disease.