4'-甲烷磺酰基-联苯-2-羧酸 | 893736-90-8

• 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: 4'-甲烷磺酰基-联苯-2-羧酸
• 英文名称: 4’-(methanesulfonyl)[1,1’-biphenyl]-2-carboxylic acid
• 英文别名: 4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-carboxylic acid；2-(4-methylsulfonylphenyl)benzoic acid
• CAS: 893736-90-8
• 化学式: C₁₄H₁₂O₄S
• 分子量: 276.313
• InChiKey: OEXWRSFMFJAAHT-UHFFFAOYSA-N

物化性质

• 沸点：
  490.3±37.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  4'-甲烷磺酰基-联苯-2-羧酸 、 氯化亚砜 在 N,N-二甲基甲酰胺 甲苯 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以to give 4′-methylsulfonyl-1,1′-biphenyl-2-carbonyl chloride (590 mg)的产率得到4'-(methylsulfonyl)-1,1'-biphenyl-2-carbonyl chloride
  参考文献：
  名称：

  Amide compounds

  摘要：

  本发明涉及公式（I）的化合物，其中X1为R1，R2和R10分别为氢原子或适当的取代基；R11和R12分别为氢原子或适当的取代基；R为不饱和的5至6元杂环单环基；A为直接键或—NH—；X2为单环芳烃，不饱和的5至6元杂环单环基或环烯基；Y为乙烯基，三亚甲基或乙烯基中选择的双价基团，其中CH2可以被NH或O替代，CH可以被N替代；Z为—（CH2）n—，—CO—（CH2）m—，—CH=CH—或—CO—NH—，其中n为1、2或3，m为1或2，或其盐。本发明的化合物抑制载脂蛋白B（Apo B）的分泌，并可用作预防和治疗由于Apo B循环水平升高而导致的疾病或病症的药物。

  公开号：

  US20040157866A1

文献信息

• KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE
  申请人：Imago Biosciences, Inc.

  公开号：US20160237043A1

  公开（公告）日：2016-08-18

  Disclosed herein are new compounds and compositions and their application as pharmaceuticals for the treatment of diseases. Methods of inhibition of KDM1A, methods of increasing gamma globin gene expression, and methods to induce differentiation of cancer cells in a human or animal subject are also provided for the treatment of diseases such as acute myelogenous leukemia.

  本文披露了新化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了抑制KDM1A的方法，增加γ球蛋白基因表达的方法，以及诱导人类或动物主体中癌细胞分化的方法，用于治疗急性髓性白血病等疾病。
• [EN] SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS<br/>[FR] HYDANTOÏNAMIDES SUBSTITUÉS UTILISÉS EN TANT QU'ANTAGONISTES D'ADAMTS7
  申请人：BAYER AG

  公开号：WO2021094436A1

  公开（公告）日：2021-05-20

  The application relates to substituted hydantoinamides of formula (I) as ADAMTS7 antagonists, to processes for their preparation, their use alone or in combination for the treatment or prophylaxis of diseases, in particular of cardiovascular diseases, including atherosclerosis, coronary artery disease (CAD), peripheral vascular disease (PAD), arterial occlusive disease or restenosis after angioplasty. R1 is hydrogen, alkyl, cycloalkyl, heterocycloalkyl, heteroaryl or phenyl; R2 is hydrogen, cyano, halogen, alkylsulfonyl, alkyl, cycloalkyl or alkoxy; R3, R4, R5, R6, R7 and R8 are independently hydrogen, halogen, alkyl or alkoxy; most groups being optionally substituted; with the proviso that at least one of R2, R3, R4 is H; X1, X2, X3, X4, X5 and X6 are independently N or C; with the proviso that in each ring maximal one X is N.

  本申请涉及式(I)所示的取代脒酰胺作为ADAMTS7拮抗剂，涉及它们的制备过程，以及它们单独或组合用于治疗或预防疾病，特别是心血管疾病，包括动脉粥样硬化、冠心病(CAD)、外周血管病(PAD)、动脉闭塞性疾病或血管成形术后的再狭窄。R1是氢、烷基、环烷基、杂环烷基、杂芳基或苯基；R2是氢、氰基、卤素、烷基亚磺酰基、烷基、环烷基或烷氧基；R3、R4、R5、R6、R7和R8独立的是氢、卤素、烷基或烷氧基；大多数基团可被选择性地取代；条件是至少R2、R3、R4中的一个为H；X1、X2、X3、X4、X5和X6独立的是N或C；条件是每个环中最多只有一个X是N。
• [EN] KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE KDM1A POUR LE TRAITEMENT D'UNE MALADIE
  申请人：IMAGO BIOSCIENCES INC

  公开号：WO2016130952A1

  公开（公告）日：2016-08-18

  Disclosed herein are new compounds and compositions and their application as pharmaceuticals for the treatment of diseases. Methods of inhibition of KDM1A, methods of increasing gamma globin gene expression, and methods to induce differentiation of cancer cells in a human or animal subject are also provided for the treatment of diseases such as acute myelogenous leukemia.

  本文揭示了新的化合物和组合物及其作为药物治疗疾病的应用。还提供了抑制KDM1A的方法，增加γ球蛋白基因表达的方法，以及在人或动物主体中诱导癌细胞分化的方法，用于治疗急性髓系白血病等疾病。
• Aryl piperidine derivatives as inducers of ldl-receptor expression
  申请人：——

  公开号：US20040147557A1

  公开（公告）日：2004-07-29

  The invention relates to a compound of formula (I), wherein Ar 1 represents phenyl, naphthyl or phenyl fused by a C 3-8 cycloalkyl, where each group is optionally substituted by methylenedioxy or one or two groups independently represented by R 1 ; Ar 2 represents phenyl or a 5-6 membered heteroaromatic group, where each group is optionally substituted by one to four groups independently selected from halogen, C 1-4 alkyl and C 1-4 alkoxy; Ar 3 represents a phenyl or a 5-6 membered heteroaromatic group, where each group is optionally substituted by one to four groups independently selected from hydroxy, alkyl, C 1-4 alkoxy, C 2-4 alkenyl, C 2-4 alkenyloxy, C 1-4 perfluoroalkoxy, C 1-4 acylamino or an electron withdrawing group; A represents —C(H)—; E represents —C 1-6 alkylene-; X represents —CON(H or C 1-4 alkyl)- or —N(H or C 1-4 alkyl)CO—; Y represents a direct link; R 1 represents halogen, —S(C 1-4 alkyl)-, —O—(C 0-4 alkylene)-R 2 or —(C 0-4 alkylene)-R 2 , where each alkylene group may additionally incorporate an oxygen in the chain, with the proviso that there are at least two carbon atoms between any chain heteroatoms; R 2 represents: i) hydrogen, C 1-4 perfluoroalkyl, C 2-3 alkenyl, ii) phenyl, naphthyl, a 5- or 6-membered heteroaromatic group or 1,2,3,4-tetrahydronaphthyl, optionally substituted by one or two halogen, hydroxy, C 1-4 alkyl, C 1-4 alkoxy groups, iii) C 3-8 cycloalkyl, a 3-7 membered heterocycloalkyl, iv) amino, C 1-4 alkylamino or di-C 1-4 alkylamino, with the proviso that there are at least two carbon atoms between any chain heteroatoms; to salts, solvates and compositions thereof and their use in treating disorders associated with elevated levels of circulating LDL-cholesterol. 1

  本发明涉及一种式（I）的化合物，其中Ar1代表苯基，萘基或由C3-8环烷基融合的苯基，其中每个基团可以被甲亚氧基或由R1独立表示的一或两个基团取代；Ar2代表苯基或5-6成员杂芳基，其中每个基团可以被从卤素、C1-4烷基和C1-4烷氧基中独立选择的1到4个基团取代；Ar3代表苯基或5-6成员杂芳基，其中每个基团可以被从羟基、烷基、C1-4烷氧基、C2-4烯基、C2-4烯氧基、C1-4全氟烷氧基、C1-4酰胺基或电子吸引基中独立选择的1到4个基团取代；A代表-C（H）-；E代表-C1-6烷基-；X代表—CON（H或C1-4烷基）-或—N（H或C1-4烷基）CO-；Y代表直接连接；R1代表卤素、—S（C1-4烷基）-、—O—（C0-4烷基）-R2或—（C0-4烷基）-R2，其中每个烷基组可能在链中还包含一个氧原子，但必须保证链中任何异原子之间至少有两个碳原子；R2代表：i）氢、C1-4全氟烷基、C2-3烯基，ii）苯基、萘基、5-或6-成员杂芳基或1,2,3,4-四氢萘基，可以选择地被1或2个卤素、羟基、C1-4烷基、C1-4烷氧基取代，iii）C3-8环烷基、3-7成员杂环烷基，iv）氨基、C1-4烷基氨基或二-C1-4烷基氨基，但必须保证链中任何异原子之间至少有两个碳原子；以及其盐、溶剂化合物和组合物及其用于治疗与循环低密度脂蛋白胆固醇水平升高相关的疾病的用途。
• SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS
  申请人：Bayer Aktiengesellschaft

  公开号：EP3822268A1

  公开（公告）日：2021-05-19

  The application relates to substituted hydantoinamides of formula (I) as ADAMTS7 antagonists, to processes for their preparation, their use alone or in combination for the treatment or prophylaxis of diseases, in particular of cardiovascular diseases, including atherosclerosis, coronary artery disease (CAD), peripheral vascular disease (PAD), arterial occlusive disease or restenosis after angioplasty. R 1 is hydrogen, alkyl, cycloalkyl, 5- to 6-membered heterocycloalkyl, 5- to 10-membered heteroaryl or phenyl; R 2 is hydrogen, cyano, halogen, alkylsulfonyl, alkyl, cycloalkyl or alkoxy; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 are independently hydrogen, halogen, alkyl or alkoxy; most groups being optionally substituted; with the proviso that at least one of R 2 , R 3 , R 4 is H; X 1 , X 2 , X 3 , X 4 , X 5 , X 6 are independently N or C; with the proviso that in each ring maximal one X is N.

  本申请涉及作为 ADAMTS7 拮抗剂的式 (I) 取代的 hydantoinamides、其制备工艺、单独使用或联合使用以治疗或预防疾病，特别是心血管疾病，包括动脉粥样硬化、冠状动脉疾病 (CAD)、外周血管疾病 (PAD)、动脉闭塞性疾病或血管成形术后再狭窄。 R 1 是氢、烷基、环烷基、5-6 元杂环烷基、5-10 元杂芳基或苯基；R 2 是氢、氰基、卤素、烷基磺酰基、烷基、环烷基或烷氧基；R 3、R 4、R 5、R 6、R 7、R 8 独立地是氢、卤素、烷基或烷氧基；X1、X2、X3、X4、X5、X6 独立地为 N 或 C，但每个环中最多一个 X 为 N。