(5Z)-5-[(4-Methoxy-3-methylphenyl)methylene]-2,4-thiazolidinedione | 871085-52-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (5Z)-5-[(4-Methoxy-3-methylphenyl)methylene]-2,4-thiazolidinedione
• 英文别名: (5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
• CAS: 871085-52-8
• 化学式: C₁₂H₁₁NO₃S
• 分子量: 249.29
• InChiKey: NJKCGNLNRWYSFL-POHAHGRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS<br/>[FR] DERIVES DE THIAZOLIDINE UTILES POUR LE TRAITEMENT ET LA PREVENTION DE TROUBLES METABOLIQUES DES OS
  申请人：ROCHE DIAGNOSTICS GMBH

  公开号：WO2000018746A1

  公开（公告）日：2000-04-06

  The object of the present invention are compounds of general formula (I), in which: m signifies a number between 0-8; q signifies a number between 0-8; A signifies a single or double bond; R1 signifies hydrogen or, when X and Z are oxygen, also -(CH2)-COR4 with a =0-6; R2, R3 signify hydrogen or lower alkyl, whereby R2 and R3 can be the same or different and, when m signifies 2-8, R2 and R3 in the group CR2=CR3 can have various significances within the following sequence; R4 signifies hydroxyl, lower alkoxy or the NR1R2 residue, whereby R1 and R2 can be the same or different; X signifies oxygen or imino; Z signifies oxygen, sulfur or imino; W signifies an optionally mono- or polysubstituted saturated or unsaturated mono-, bi- or tricycle which can contain one or more hetero atoms, as well as their physiologically compatible salts, esters, optically active forms, racemates, tautomers, as well as derivatives which can be metabolized in vivo to compounds of general formula (I), as well as the use of these compounds for the production of medicaments for the prophylaxis or therapy of metabolic bone disorders.
• [EN] MODULATORS OF GPR35 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS<br/>[FR] GPR35 ET MODULATEUR DE GPR35 UTILISES POUR TRAITER DES TROUBLES METABOLIQUES
  申请人：ARENA PHARM INC

  公开号：WO2005119252A2

  公开（公告）日：2005-12-15

  The present invention relates to a method for identifying a metabolic stabilizing compound, comprising: a) contacting a candidate compound with GPR35, and b) determining whether GPR35 functionality is increased, wherein an increase in GPR35 functionality is indicative of the candidate compound being a metabolic stabilizing compound. The invention further relates to use of a GPR35 modulator for the manufacture of a medicament for use as a metabolic stabilizing agent. In addition, the invention relates to a method for increasing GPR35 function, comprising contacting GPR35 with an effective amount of a compound of Formula (I): or a pharmaceutically acceptable salt thereof, wherein X is O or S; and R1, R2, R3, R4, and R5 are each independently selected from the group consisting of H, C1-4 alkoxy, C1-4 alkyl, halogen, hydroxyl, and nitro; wherein said C1-4 alkoxy is optionally substituted with carbo-C1-4-alkoxy or carboxy.