3-(benzo[d][1,3]dioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholinopropan-1-one | 958980-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(benzo[d][1,3]dioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholinopropan-1-one
• 英文别名: 3-(1,3-Benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
• CAS: 958980-96-6
• 化学式: C₂₂H₂₅NO₇
• 分子量: 415.443
• InChiKey: PDDAFMDJXJISEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  86.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,4-methylenedioxy-trans-cinnamic acid 在 三氟乙酸 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 12.0h， 生成 3-(benzo[d][1,3]dioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholinopropan-1-one
  参考文献：
  名称：

  Identification of Potent and Selective Diphenylpropanamide RORγ Inhibitors

  摘要：

  Retinoic acid-related orphan receptor ROR gamma t plays a pivotal role in the differentiation of T(H)17 cells. Antagonizing ROR gamma t transcriptional activity is a potential means to treat T(H)17-related autoimmune diseases. Herein, we describe the identification of a series of diphenylpropanamides as novel and selective ROR gamma antagonists. Diphenylpropanamide 4n inhibited the transcriptional activity of ROR gamma t, but not ROR alpha, in cells. In addition, it suppressed human T(H)17 cell differentiation at submicromolar concentrations.

  DOI：

  10.1021/ml300286h

文献信息

• AMIDO COMPOUNDS AS RORYT MODULATORS AND USES THEREOF
  申请人：New York University

  公开号：EP3002008A1

  公开（公告）日：2016-04-06

  Amido compounds are disclosed that have a formula represented by the following: and wherein n1, n2, R1a, R1b, R2, R3, R4, R5, and R6 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.

  本发明公开了具有下式表示的氨基化合物： 其中 n1、n2、R1a、R1b、R2、R3、R4、R5 和 R6 如本文所述。这些化合物可制备成药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，包括非限制性的炎症、自身免疫性疾病、癌症和移植物抗宿主疾病。
• Amido compounds as RORγt modulators and uses thereof
  申请人：New York University

  公开号：US10561666B2

  公开（公告）日：2020-02-18

  Amido compounds are disclosed that have a formula represented by the following: and wherein n1, n2, R1a, R1b, R2, R3, R4, R5, and R6 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.

  本发明公开了具有下式表示的氨基化合物： 其中 n1、n2、R1a、R1b、R2、R3、R4、R5 和 R6 如本文所述。这些化合物可制备成药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，包括非限制性的炎症、自身免疫性疾病、癌症和移植物抗宿主疾病。
• Small molecule amides as potent ROR-γ selective modulators
  作者：Pasha M. Khan、Bahaa El-Dien M. El-Gendy、Naresh Kumar、Ruben Garcia-Ordonez、Li Lin、Claudia H. Ruiz、Michael D. Cameron、Patrick R. Griffin、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2012.11.025

  日期：2013.1

  The structure-activity relationship study of a diphenylpropanamide series of ROR-gamma selective modulators is reported. Compounds were screened using chimeric receptor Gal4 DNA-binding domain (DBD)-NR ligand binding domain cotransfection assay in a two-step format. Three different regions of the scaffold were modified to assess the effects on repression of ROR-gamma transcriptional activity and potency. The lead compound 1 exhibits modest mouse pharmacokinetics and an acceptable in vitro profile which makes it a suitable in vivo probe to interrogate the functions of ROR-gamma in animal models of disease. (C) 2012 Elsevier Ltd. All rights reserved.
• 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.