SR-9805 | 1334526-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: SR-9805
• 英文别名: rac-ML209；3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
• CAS: 1334526-17-8
• 化学式: C₂₅H₃₁NO₆
• 分子量: 441.524
• InChiKey: YEKVAIMYYCZDLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-二甲氧基苯酚 在 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 SR-9805
  参考文献：
  名称：

  Small molecule amides as potent ROR-γ selective modulators

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2012.11.025

文献信息

• Novel Compounds
  申请人：AstraZeneca AB

  公开号：US20170166527A1

  公开（公告）日：2017-06-15

  The present specification provides a compound of formula (I): or a pharmaceutically acceptable salt thereof; a process for preparing such a compound; and to the use of such a compound in the treatment of an RORγ and/or RORγt mediated disease state.

  本规范提供了一种化合物，其化学式为(I)： 或其药用可接受盐；制备这种化合物的方法；以及将这种化合物用于治疗RORγ和/或RORγt介导的疾病状态。
• [EN] 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS<br/>[FR] 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES UTILES EN TANT QUE MODULATEURS DE ROR-GAMMA
  申请人：ASTRAZENECA AB

  公开号：WO2018229155A1

  公开（公告）日：2018-12-20

  The present specification provides a compound of formula (I): or a pharmaceutically acceptable salt thereof; a process for preparing such a compound; and to the use of such a compound in the treatment of an RORγ and/or RORγt mediated disease state.

  本规范提供了化合物的公式(I)或其药用可接受盐；制备这种化合物的方法；以及将这种化合物用于治疗RORγ和/或RORγt介导的疾病状态。
• Compounds
  申请人：AstraZeneca AB

  公开号：US10011566B2

  公开（公告）日：2018-07-03

  The present specification provides a compound of formula (I): or a pharmaceutically acceptable salt thereof; a process for preparing such a compound; and to the use of such a compound in the treatment of an RORγ and/or RORγt mediated disease state.

  本说明书提供了一种式 (I) 的化合物： 或其药学上可接受的盐；制备这种化合物的工艺；以及这种化合物在治疗 RORγ 和/或 RORγt 介导的疾病状态中的用途。
• 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。
• 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators
  申请人：AstraZeneca AB

  公开号：US11034654B2

  公开（公告）日：2021-06-15

  The present specification provides a compound of formula (I): or a pharmaceutically acceptable salt thereof; a process for preparing such a compound; and to the use of such a compound in the treatment of an RORγ and/or RORγt mediated disease state.

  本说明书提供了一种式 (I) 的化合物： 或其药学上可接受的盐；制备这种化合物的工艺；以及这种化合物在治疗 RORγ 和/或 RORγt 介导的疾病状态中的用途。