ER-38930 | 187402-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ER-38930
• 英文别名: Benzoic acid, 4-(5-(1,5-bis(1-methylethyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)-；4-[5-[1,5-di(propan-2-yl)pyrazol-3-yl]-1H-pyrrol-2-yl]benzoic acid
• CAS: 187402-44-4
• 化学式: C₂₀H₂₃N₃O₂
• 分子量: 337.422
• InChiKey: FTVXUWLIHZWUME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-甲氧基-5-甲基己烷-2,4-二酮 在 manganese(IV) oxide 、 sodium hydroxide 、 ammonium acetate 、 3-苄基羟乙基甲基噻唑氯化锂 、 三溴化硼 、 sodium hydride 、 三乙胺 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.67h， 生成 ER-38930
  参考文献：
  名称：

  Novel retinoic acid receptor α agonists: syntheses and evaluation of pyrazole derivatives

  摘要：

  We have designed and synthesized a series of pyrazole derivatives as candidate retinoic acid receptor (RAR) agonists. One of them, 4-[5-(1, 5-diisopropyl-1H-3-pyrazolyl)-1H-2-pyrrolyl]benzoic acid (11b), which possesses a 2,5-disubstituted pyrrole moiety, showed selective transactivation activity for the RAR alpha receptor, and had highly potent cell-differentiating activity on HL-60 cells. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00066-4

文献信息

• Methods of stratifying patients for treatment with retinoic acid receptor-alpha agonists
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US10167518B2

  公开（公告）日：2019-01-01

  The invention provides methods that define cellular populations that are sensitive to RARA agonists and identify patient subgroups that will benefit from treatment with RARA agonists. The invention also provides packaged pharmaceutical compositions that comprise a RARA agonist and instructions for determining if such agonist is suitable for use in treatment.

  本发明提供的方法可确定对 RARA 激动剂敏感的细胞群，并识别将从 RARA 激动剂治疗中获益的患者亚群。本发明还提供了包含 RARA 激动剂的包装药物组合物，以及确定这种激动剂是否适合用于治疗的说明。
• METHODS OF STRATIFYING PATIENTS FOR TREATMENT WITH RETINOIC ACID RECEPTOR-ALPHA AGONISTS
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US20170292165A1

  公开（公告）日：2017-10-12

  Described herein are methods that define cellular populations that are sensitive to RARA agonists and identify patient populations that will benefit from treatment with RARA agonists. The methods may comprise administering RARA agonists to patient populations.
• METHODS OF STRATIFYING PATIENTS FOR TREATMENT WITH RETINOIC ACID RECEPTOR-ALPHA AGONISTS
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US20180087115A1

  公开（公告）日：2018-03-29

  The invention provides methods that define cellular populations that are sensitive to RARA agonists and identify patient subgroups that will benefit from treatment with RARA agonists. The invention also provides packaged pharmaceutical compositions that comprise a RARA agonist and instructions for determining if such agonist is suitable for use in treatment.
• US9845508B2
  申请人：——

  公开号：US9845508B2

  公开（公告）日：2017-12-19
• US9868994B2
  申请人：——

  公开号：US9868994B2

  公开（公告）日：2018-01-16