2’,3’-二氯联苯-3-羧酸 | 177734-74-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2’,3’-二氯联苯-3-羧酸
• 英文名称: 2',3'-dichloro-[1,1'-biphenyl]-3-carboxylic acid
• 英文别名: 2',3'-Dichlorobiphenyl-3-carboxylic acid；3-(2,3-dichlorophenyl)benzoic acid
• CAS: 177734-74-6
• 化学式: C₁₃H₈Cl₂O₂
• 分子量: 267.111
• InChiKey: QVAUBYFUJRZWHG-UHFFFAOYSA-N

物化性质

• 沸点：
  430.5±35.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2’,3’-二氯联苯-3-羧酸 、 4-苯氧基苯磺酰胺 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 2',3'-dichloro-N-((4-phenoxyphenyl)sulfonyl)[1,1'-biphenyl]-3-carboxamide
  参考文献：
  名称：

  SAR by Interligand Nuclear Overhauser Effects (ILOEs) Based Discovery of Acylsulfonamide Compounds Active against Bcl-x_Land Mcl-1

  摘要：

  Overexpression of antiapoptotic members of the Bcl-2 family proteins, such as Bcl-x(L), and Mfl-1, has been shown to be involved in resistance to chemotherapeutic drugs in many forms of cancers. Recent efforts from the Abbott Laboratories resulted in the development of the acylsulfonamide compound and clinical candidate that targets selectively Bcl-2, Bcl-x(L), and Bcl-w while it is not active against Mcl-1 and Bfl-1. However, early clinical and preclinical studies suggest that pan-Bcl-2 antagonists, targeting simultaneously Mcl-1, Bcl-x(L), and possibly all other four antiapoptotic Bcl-2 proteins, may result in more efficacious drugs. Here, following an NMR fragment-based approach, SAR by ILOEs, we report on compounds that exhibit nanomolar affinities for both Bcl-x(L) and Mcl-1 in vitro. We believe that these molecules can be used as useful starting point for the development of novel Bcl-2 antagonists, in particular targeting Mcl-1.

  DOI：

  10.1021/jm200826s

文献信息

• Inhibitors of cathepsin S
  申请人：IRM LLC

  公开号：US20040198780A1

  公开（公告）日：2004-10-07

  The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme (e.g., cathespin K). The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.

  本发明提供了用于选择性抑制蛋白酶S的化合物、组合物和方法。在一个优选方面，当至少存在另一种蛋白酶同工酶（例如，蛋白酶K）时，选择性地抑制蛋白酶S。本发明还提供了通过选择性抑制蛋白酶S来治疗受试者疾病状态的方法。
• BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0773927A2

  公开（公告）日：1997-05-21
• US5968985A
  申请人：——

  公开号：US5968985A

  公开（公告）日：1999-10-19
• US7109243B2
  申请人：——

  公开号：US7109243B2

  公开（公告）日：2006-09-19
• [EN] BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS<br/>[FR] DERIVES DE BENZOYLGUANIDINE UTILISES EN TANT QUE MEDICAMENTS
  申请人：——

  公开号：WO1996004241A2

  公开（公告）日：1996-02-15

  [EN] Guanidine derivatives of formula (I) wherein R<1> is hydrogen, hydroxy(lower)alkyl, protected hydroxy(lower)alkyl, acyl(lower)alkoxy, acyl(lower)alkenyl, or acyl, and R<2> is ar(lower)alkenyl; aryl substituted with two suitable substituents; indenyl, indanyl, dihydrobenzocycloheptenyl, di(or tetra or hexa or octa or deca)hydronaphthyl, cyclopentenyl, dihydrothienyl, dihydrofuryl or heterobicyclic group, each of which may have suitable substituent(s); lower alkylthienyl; mono(or di)halothienyl; mono(or di or tri)halo(lower)alkylthienyl; acylthienyl; halofuryl; or mono(or di or tri)halo(lower)alkylfuryl; and a pharmaceutically acceptable salt thereof, which is useful as a medicament.
  [FR] L'invention se rapporte à des dérivés de guanidine de la formule (I) dans laquelle R<1> représente hydrogène, hydroxy-alkyle(inférieur), hydroxy-alkyle(inférieur) protégé, acyle-alcoxy(inférieur), acyle-alcényle(inférieur), ou acyle, et R<2> représente ar alcényle(inférieur); aryle substitué par deux substituants appropriés; indényle, indanyle, dihydrobenzocycloheptényle, di(ou tétra ou hexa ou octa ou déca)hydronaphtyle, cyclopentényle, dihydrothiényle, un groupe dihydrofuryle ou hétérobicyclique, chacun d'eux pouvant être un ou des substituants appropriés; alkylthiényle inférieur; mono (ou di)halothiényle; mono(ou di ou tri)halo alkylthiényle(inférieur); acylthiényle; halofuryle; ou mono(ou di ou tri)halo alkylefuryle(inférieur). L'invention se rapporte également à un sel pharmaceutiquement acceptable de ces dérivés qui est utilisé comme médicament.