Naveglitazar sodium | 477981-15-0

• 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: Naveglitazar sodium
• 英文别名: sodium;(2S)-2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
• CAS: 477981-15-0
• 化学式: C25H25NaO6
• 分子量: 444.5
• InChiKey: QRZVPGNFLXIZON-JIDHJSLPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.64
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  77
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Naveglitazar sodium 生成 2-甲氧基-3-[4-[3-(4-苯氧基苯氧基)丙氧基]苯基]丙酸
  参考文献：
  名称：

  Chimia 2006, 60, 580-583

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]-phenyl}-propionic acid methyl ester 生成 Naveglitazar sodium
  参考文献：
  名称：

  Chimia 2006, 60, 580-583

  摘要：

  DOI：

文献信息

• Modulators of peroxisome proliferator activated receptors
  申请人：Brooks Alisa Dawn

  公开号：US20050020684A1

  公开（公告）日：2005-01-27

  Disclosed is a compound represented by Structural Formula (I): Ar is a substituted or unsubstituted aromatic group. Q is a covalent bond, —CH 2 — or —CH 2 CH 2 —; W is a substituted or unsubstituted alkylene or a substituted or unsubstituted heteroalkylene linking group from two to ten atoms in length, preferably from two to seven atoms in length. Phenyl Ring A is optionally substituted with up to four substituents in addition to R 1 and W, R 2 is (CH 2 ) n —CH(OR 2 )—(CH 2 ) n E, —(CH)═C(OR 2 )—(CH 2 ) n E, —(CH 2 ) n —CH(Y)—(CH 2 ) m E or (CH)═C(Y)(CH 2 ) m E; wherein E is COOR 3 , C 1 -C 3 alkylnitrile, carboxamide, sulfonamide, acylsulfonamide or tetrazole and wherein sulfonamide, acylsulfonamide and tetrazole are optionally substituted with one or more substituents independently selected from: C 1 -C 6 alkyl, haloalkyl and aryl-C o - 4 -alkyl; R 2 is H, an aliphatic group, a substituted aliphatic group, haloalkyl, an aromatic group, a substituted aromatic group, —COR 4 , —COOR 4 , —CONR 5 R 6 , —C(S)R 4 , —C(S)OR 4 or C(S)NR 5 R 6 , R 3 is H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. Y is O—, CH 2 —, CH 2 CH 2 — or CH═CH— and is bonded to a carbon atom in Phenyl Ring A that is ortho to R 1 . R 4 -R 6 are independently H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. n and m are independently 0, 1 or 2.

  本发明公开了一种由结构式（I）表示的化合物：其中Ar是取代或未取代的芳香基团。Q是共价键，-CH2-或-CH2CH2-; W是取代或未取代的烷基或取代或未取代的异烷基连接基，长度为两到十个原子，优选长度为两到七个原子。苯环A可选地与R1和W以外的最多四个取代基取代，R2是（CH2）n-CH（OR2）-（CH2）nE，-（CH）=C（OR2）-（CH2）nE，-（CH2）n-CH（Y）-（CH2）mE或（CH）=C（Y）（CH2）mE;其中E是COOR3，C1-C3烷基腈，羧酰胺，磺酰胺，酰基磺酰胺或四唑，磺酰胺，酰基磺酰胺和四唑可选地与一个或多个取代基取代，独立地选自：C1-C6烷基，卤代烷基和芳基-Co-4-烷基; R2是H，脂肪基，取代脂肪基，卤代烷基，芳基，取代芳基，-COR4，-COOR4，-CONR5R6，-C（S）R4，-C（S）OR4或C（S）NR5R6，R3是H，脂肪基，取代脂肪基，芳基或取代芳基。Y是O-，CH2-，CH2CH2-或CH═CH-，并与Phenyl环A中与R1相邻的碳原子键合。R4-R6独立地是H，脂肪基，取代脂肪基，芳基或取代芳基。n和m独立地为0、1或2。
• MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1392637A2

  公开（公告）日：2004-03-03
• US7192982B2
  申请人：——

  公开号：US7192982B2

  公开（公告）日：2007-03-20
• [EN] MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS<br/>[FR] MODULATEURS DE RECEPTEURS ACTIVES PAR LE PROLIFERATEUR DE PEROXYSOME
  申请人：LILLY CO ELI

  公开号：WO2002100813A2

  公开（公告）日：2002-12-19

  Disclosed is a compound represented by Structural Formula (I): Ar is a substituted or unsubstituted aromatic group. Q is a covalent bond, -CH2-or-CH2CH2-; W is a substituted or unsubstituted alkylene or a substituted or unsubstituted heteroalkylene linking group from two to ten atoms in length, preferably from two to seven atoms in length. Phenyl Ring A is optionally substituted with up to four substituents in addition to R1 and W. R1 is (CH2)n-CH(OR2)-(CH2)mE, -(CH)=C(OR2)-(CH2)mE, -(CH2)n-CH(Y)-(CH2)mE or (CH)=C(Y)-(CH2)mE; wherein E is COOR3, C1-C3 alkylnitrile, carboxamide, sulfonamide, acylsulfonamide or tetrazole and wherein sulfonamide, acylsulfonamide and tetrazole are optionally substituted with one or more substituents independently selected from: C1-C6 alkyl, haloalkyl and aryl-C0-4-alkyl; R2 is H, an aliphatic group, a substituted aliphatic group, haloalkyl, an aromatic group, a substituted aromatic group, -COR4, -COOR4, -CONR5R6, -C(S)R4, -C(S)OR4 or C(S)NR5R6. R3 is H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. Y is O-, CH2-, -CH2CH2- or CH=CH- and is bonded to a carbon atom in Phenyl Ring A that is ortho to R1. R4-R6 are independently H, an aliphatic group, a substituted aliphatic group, an aromatic group or a substituted aromatic group. n and m are independently 0, 1 or 2.
• Chimia 2006, 60, 580-583
  作者：

  DOI：——

  日期：——