(2S)-2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]propanoic acid | 1020281-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S)-2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]propanoic acid
• CAS: 1020281-25-7
• 化学式: C₂₅H₃₀N₂O₄
• 分子量: 422.524
• InChiKey: MEHUYUYEOYFZII-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• RETINOID PRODRUG COMPOUND
  申请人：Muratake Hideaki

  公开号：US20100286427A1

  公开（公告）日：2010-11-11

  A compound represented by the following general formula (I): [R 1 to R 5 represent hydrogen atom, an alkyl group, or a trialkylsilyl group, X represents —NH—CO—, —CO—NH—, —N(COR 6 )—CO—, —CO—N(COR 7 )— (R 6 and R 7 represent a lower alkoxy group, or a carboxy-substituted phenyl group) etc.; and Z represents —Y—CH(R 12 )—COOH, —CHO, —CH═CH—COOH, or —COOR 13 (Y represents a single bond, —CH 2 —, —CH(OH)—, —CO—, —CO—NH—, or —CO—NH—CH 2 —CO—NH—, R 12 represents hydrogen atom or a lower alkyl group, and R 13 represents hydrogen atom, —CH(R 14 )—COOH(R 14 represents hydrogen atom, a lower alkyl group, or hydroxy group), —[CH 2 CH 2 —O] n —CH 2 —CH 2 —OH, —CH 2 —O—[CH 2 CH 2 —O] m —CH 2 —OH, or —[CH(CH 3 )—CO—O] p —CH(CH 3 )—COOH (m, n and p represent an integer of 1 to 100))], a salt thereof or an ester thereof, which has a property of being converted into a retinoid after absorption in vivo.

  由以下一般式（I）表示的化合物： [R1至R5代表氢原子、烷基或三烷基硅基，X代表—NH—CO—、—CO—NH—、—N(COR6)—CO—、—CO—N(COR7)—（R6和R7代表较低的烷氧基或羧基取代的苯基）等；Z代表—Y—CH(R12)—COOH、—CHO、—CH═CH—COOH或—COOR13（Y代表单键、—CH2—、—CH(OH)—、—CO—、—CO—NH—或—CO—NH— —CO—NH—，R12代表氢原子或较低的烷基，R13代表氢原子、—CH(R14)—COOH（R14代表氢原子、较低的烷基或羟基），—[ —O]n— — —OH、— —O—[ —O]m— —OH或—[CH(CH3)—CO—O]p—CH( )—COOH（m、n和p代表1至100的整数）]，其盐或酯，具有在体内吸收后转化为视黄醇类物质的特性。
• 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-α agonists
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US11053552B2

  公开（公告）日：2021-07-06

  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.

  本文描述的方法可确定对 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群。这些方法可包括向患者群施用 RARA 激动剂。
• METHODS OF STRATIFYING PATIENTS FOR TREATMENT WITH RETINOIC ACID RECEPTOR-AGONISTS
  申请人：Syros Pharmaceuticals, Inc.

  公开号：EP3277272B1

  公开（公告）日：2021-08-04
• METHODS OF STRATIFYING PATIENTS FOR TREATMENT WITH RETINOIC ACID RECEPTOR-ALPHA AGONISTS
  申请人：SYROS PHARMACEUTICALS, INC.

  公开号：US20160355888A1

  公开（公告）日：2016-12-08

  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.