p-carboxyphenyl-2-chloroethyl sulfone | 17918-95-5

• 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: p-carboxyphenyl-2-chloroethyl sulfone
• 英文别名: 4-<(2-Chlorethyl)sulfonyl>benzoesaeure；<4-Carboxy-phenyl>-<2-chlor-ethyl>-sulfon；4-(2-Chloroethylsulfonyl)-benzoic acid；4-(2-Chloroethanesulfonyl)benzoic acid；4-(2-chloroethylsulfonyl)benzoic acid
• CAS: 17918-95-5
• 化学式: C₉H₉ClO₄S
• 分子量: 248.687
• InChiKey: RJYLWBRPROPHTD-UHFFFAOYSA-N

物化性质

• 熔点：
  227-228 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  475.5±45.0 °C(Predicted)
• 密度：
  1.448±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  p-carboxyphenyl-2-chloroethyl sulfone 在 三乙胺 作用下， 以 氯仿 为溶剂， 以82%的产率得到4-乙烯磺酰基苯甲酸
  参考文献：
  名称：

  Solid phase synthesis of bicyclic pyrrolidines

  摘要：

  DOI：

  10.24820/ark.5550190.p011.633
• 作为产物：
  描述：

  2-氯乙基对甲苯基砜 在 chromium(VI) oxide 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 生成 p-carboxyphenyl-2-chloroethyl sulfone
  参考文献：
  名称：

  Shinriki,N.; Nambara,T., Chemical and pharmaceutical bulletin, 1963, vol. 11, p. 178 - 183

  摘要：

  DOI：

文献信息

• Dipeptide nitriles
  申请人：Novartis AG

  公开号：US06353017B1

  公开（公告）日：2002-03-05

  N-terminal substituted dipeptide nitriles as defined are useful as inhibitors of cysteine cathepsins, e.g. cathepsins B, K, L and S, and can be used for the treatment of cysteine cathepsin dependent diseases and conditions, including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, tumors (especially tumor invasion and tumor metastasis), coronary disease, atherosclerosis (including atherosclerotic plaque rupture and destabilization). Particular dipeptide nitriles are compounds of formula I, or physiologically-acceptable and -cleavable esters or a salts thereof wherein: the symbols are as defined. In particular it has been found that by appropriate choice of groups R, R2, R3, R4, R5, X1, Y and L, the relative selectivity of the compounds as inhibitors of the various cysteine cathepsin types, e.g. cathepsins B, K, L and S may be altered, e.g. to obtain inhibitors which selectively inhibit a particular cathepsin type or combination of cathepsin types.

  N-末端取代二肽腈可作为半胱氨酸蛋白酶抑制剂，例如半胱氨酸蛋白酶B、K、L和S，并可用于治疗依赖于半胱氨酸蛋白酶的疾病和症状，包括炎症、类风湿关节炎、骨关节炎、骨质疏松、肿瘤（尤其是肿瘤侵袭和转移）、冠心病、动脉粥样硬化（包括动脉粥样硬化斑块破裂和不稳定）。特定的二肽腈化合物为公式I的化合物，或其生理上可接受和可裂解的酯或盐，其中：符号如定义。特别是发现通过适当选择基团R、R2、R3、R4、R5、X1、Y和L，可以改变化合物作为各种半胱氨酸蛋白酶类型抑制剂的相对选择性，例如半胱氨酸蛋白酶B、K、L和S，可改变，例如获得选择性抑制特定蛋白酶类型或蛋白酶类型组合的抑制剂。
• Dipeptide derivatives
  申请人：——

  公开号：US20040110806A1

  公开（公告）日：2004-06-10

  N-terminal substituted dipeptide nitriles as defined are useful as inhibitors of cysteine cathepsins, e.g. cathepsins B, K, L and S, and can be used for the treatment of cysteine cathepsin dependent diseases and conditions, including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, tumors (especially tumor invasion and tumor metastasis), coronary disease, atherosclerosis (including atherosclerotic plaque rupture and destabilization). Particular dipeptide nitriles are compounds of formula I, or physiologically-acceptable and -cleavable esters or a salts thereof 1 wherein: the symbols are as defined. In particular it has been found that by appropriate choice of groups R, R 2 , R 3 , R 4 , R 5 , X 1 , Y and L, the relative selectivity of the compounds as inhibitors of the various cysteine cathepsin types, e.g. cathepsins B, K, L and S may be altered, e.g. to obtain inhibitors which selectively inhibit a particular cathepsin type or combination of cathepsin types.

  N-末端取代的二肽硝基化合物可作为半胱氨酸蛋白酶的抑制剂，例如半胱氨酸蛋白酶B、K、L和S，并可用于治疗半胱氨酸蛋白酶依赖性疾病和病况，包括炎症、类风湿性关节炎、骨关节炎、骨质疏松症、肿瘤（尤其是肿瘤侵袭和转移）、冠心病、动脉粥样硬化（包括动脉粥样硬化斑块破裂和不稳定性）。特定的二肽硝基化合物是公式I的化合物，或其生理上可接受和可分解酯或其盐，其中：符号的定义如上所述。特别是，通过适当选择R、R2、R3、R4、R5、X1、Y和L基团，可以改变化合物作为不同半胱氨酸蛋白酶类型的抑制剂的相对选择性，例如获得选择性抑制特定半胱氨酸蛋白酶类型或半胱氨酸蛋白酶类型组合的抑制剂。
• Object comprising an uncharged, functionalized hydrogel surface
  申请人：——

  公开号：US20040157149A1

  公开（公告）日：2004-08-12

  The invention relates to an object, such as a sensor or a microcavity with an uncharged, functionalized hydrogel surface, comprising a hydrogel, which has hydroxy groups to which organic molecules are bound. The molecules used have one or more radicals &Lgr; and one or more radicals B. Radical &Lgr; reacts with the hydroxy groups of the hydrogel when binding the organic molecule. Radical B is selected such that, after the organic molecule binds to the hydrogel, it reacts with a biomolecule having amino groups or thio groups without the use of one or more activation reagents. The invention also relates to a method for producing the inventive object and to novel organic molecules for binding biomolecules to a hydrogel.

  本发明涉及一种物体，例如带有未充电的功能化水凝胶表面的传感器或微腔，包括具有羟基的水凝胶，有机分子与其结合。所使用的分子具有一个或多个基团&Lgr;和一个或多个基团B。当结合有机分子时，基团&Lgr;与水凝胶的羟基反应。选择基团B，使其在有机分子结合到水凝胶后，可以在不使用一个或多个活化试剂的情况下与具有氨基或硫醇基团的生物分子发生反应。本发明还涉及一种制备本发明物体的方法和用于将生物分子与水凝胶结合的新型有机分子。
• DIPEPTIDE NITRILES
  申请人：Altmann Eva

  公开号：US20080027060A1

  公开（公告）日：2008-01-31

  N-terminal substituted dipeptide nitriles as defined are useful as inhibitors of cysteine cathepsins, e.g. cathepsins B, K, L and S, and can be used for the treatment of cysteine cathepsin dependent diseases and conditions, including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis, tumors (especially tumor invasion and tumor metastasis), coronary disease, atherosclerosis (including atherosclerotic plaque rupture and destabilization). Particular dipeptide nitriles are compounds of formula I, or physiologically-acceptable and -cleavable esters or a salts thereof wherein: the symbols are as defined. In particular it has been found that by appropriate choice of groups R, R 2 , R 3 , R 4 , R 5 , X 1 , Y and L, the relative selectivity of the compounds as inhibitors of the various cysteine cathepsin types, e.g. cathepsins B, K, L and S may be altered, e.g. to obtain inhibitors which selectively inhibit a particular cathepsin type or combination of cathepsin types.

  N-末端取代二肽基腈可作为半胱氨酸蛋白酶的抑制剂，例如半胱氨酸蛋白酶B、K、L和S，并可用于治疗半胱氨酸蛋白酶依赖性疾病和病况，包括炎症、类风湿关节炎、骨关节炎、骨质疏松症、肿瘤（尤其是肿瘤侵袭和转移）、冠心病、动脉硬化（包括动脉粥样硬化斑块破裂和不稳定性）。特定的二肽基腈化合物为I式化合物，或其生理上可接受和可水解酯或其盐。其中：符号如定义。特别地，通过适当选择R、R2、R3、R4、R5、X1、Y和L基团，可以改变化合物作为各种半胱氨酸蛋白酶类型的抑制剂的相对选择性，例如获得选择性抑制特定半胱氨酸蛋白酶类型或半胱氨酸蛋白酶类型组合的抑制剂。
• Horner, Leopold; Lindel, Hans, Liebigs Annalen der Chemie, 1985, # 1, p. 22 - 33
  作者：Horner, Leopold、Lindel, Hans

  DOI：——

  日期：——