(4-ethylphenyl)(4-fluorophenyl)methanone | 16574-57-5

• 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: (4-ethylphenyl)(4-fluorophenyl)methanone
• 英文别名: p-Ethyl-p'-fluorbenzophenon；4-ethyl-4'-fluorobenzophenone；(4-ethylphenyl)-(4-fluorophenyl)methanone
• CAS: 16574-57-5
• 化学式: C₁₅H₁₃FO
• mdl: MFCD09891271
• 分子量: 228.266
• InChiKey: NUDYFNBBAXEUSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Triazole Derivative and Use Thereof
  申请人：Kubo Keiji

  公开号：US20090105253A1

  公开（公告）日：2009-04-23

  The present invention relates to a thrombin receptor antagonist containing a compound represented by the formula (I) wherein R 1a , R 1b and R 2 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, or an optionally substituted alkoxy, R 3 is a group represented by the formula —NHCOR 4 , —NHSO 2 R 5 , —NHCON(R 6a )(R 6b ), —NHCOOR 7 or —CONHR 8 wherein R 4 , R 5 , R 6a , R 6b , R 7 and R 8 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like), ring A is monocyclic aromatic ring optionally further having substituent(s), R 1a and R 1b are optionally bonded to each other to form an optionally substituted nitrogen-containing non-aromatic heterocycle, or a salt thereof or a prodrug thereof. The thrombin receptor antagonist of the present invention has a thrombin receptor (particularly PAR-1) antagonistic action and is useful for the prophylaxis or treatment of PAR-1 mediated pathological condition or disease.

  本发明涉及一种含有式(I)所表示的化合物的凝血酶受体拮抗剂，其中R1a、R1b和R2分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团或可选取代的烷氧基，R3是由式—NHCOR4、—NHSO2R5、—NHCON(R6a)(R6b)、—NHCOOR7或—CONHR8所表示的基团，其中R4、R5、R6a、R6b、R7和R8分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团等，环A是单环芳香环，可选地进一步具有取代基，R1a和R1b可选择性地连接在一起形成可选取代的含氮非芳香杂环，或其盐或前药。本发明的凝血酶受体拮抗剂具有凝血酶受体（特别是PAR-1）拮抗作用，可用于预防或治疗PAR-1介导的病理状态或疾病。
• TRIAZOLE DERIVATIVE AND THE USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1867331A1

  公开（公告）日：2007-12-19

  The present invention relates to a thrombin receptor antagonist containing a compound represented by the formula (I) wherein R1a, R1b and R2 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, or an optionally substituted alkoxy, R3 is a group represented by the formula -NHCOR4, -NHSO2R5, -NHCON(R6a) (R6b), -NHCOOR7 or -CONHR8 wherein R4, R5, R6a, R6b, R7 and R8 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like), ring A is monocyclic aromatic ring optionally further having substituent(s), R1a and R1b are optionally bonded to each other to form an optionally substituted nitrogen-containing non-aromatic heterocycle, or a salt thereof or a prodrug thereof. The thrombin receptor antagonist of the present invention has a thrombin receptor (particularly PAR-1) antagonistic action and is useful for the prophylaxis or treatment of PAR-1 mediated pathological condition or disease.

  本发明涉及一种凝血酶受体拮抗剂，其中含有由式（I）代表的化合物 其中 R1a、R1b 和 R2 各为氢原子、任选取代的烃基、任选取代的杂环基团或任选取代的烷氧基，R3 为由式 -NHCOR4、-NHSO2R5、-NHCON(R6a) (R6b)、-NHCOOR7 或 -CONHR8 所代表的基团，其中 R4、R5、R6a、R6b、R7 和 R8 各为氢原子、任选取代的烃基、任选取代的杂环基等），环 A 是单环芳香环，任选进一步具有取代基，R1a 和 R1b 任选相互键合以形成任选取代的含氮非芳香杂环，或其盐或其原药。本发明的凝血酶受体拮抗剂具有凝血酶受体（尤其是 PAR-1）拮抗作用，可用于预防或治疗 PAR-1 介导的病理状态或疾病。
• US6166072A
  申请人：——

  公开号：US6166072A

  公开（公告）日：2000-12-26
• US7803822B2
  申请人：——

  公开号：US7803822B2

  公开（公告）日：2010-09-28
• [EN] GLYCINE TRANSPORT INHIBITORS<br/>[FR] INHIBITEURS DU TRANSPORT DE LA GLYCINE
  申请人：ALLELIX NEUROSCIENCE, INC.

  公开号：WO1999034790A1

  公开（公告）日：1999-07-15

  (EN) Described herein are compounds having general formula (I), wherein: Ar represents an aryl group optionally substituted with substituents selected from the group consisting of lower alkyl, lower alkoxy, halo, NO2, Ph, CF3, CN, OH, SO2NRR', NRR' and CO2R, where R and R' are independently selected from the group consisting of H and lower alkyl; Ar1 and Ar2 are independently selected Ar groups; R3 is selected from the group consisting of H and Ar; R4, R5, R6 and R7 are independently selected from the group consisting of H and lower alkyl; R8 is selected from the group consisting of H and an alkyl group having up to 8 carbon atoms, X is selected from the group consisting of S, SO, SO2, NR and CRR', where R and R' are independently selected from the group consisting of H and lower alkyl; and stereoisomers, salts, solvates or hydrates thereof. Also described is the use of these compounds as pharmaceuticals.(FR) Composés de formule générale (I) dans laquelle Ar représente un groupe aryle éventuellement substitué par des substituants choisis dans le groupe constitué par alkyle inférieur, alcoxy inférieur, halo, NO2, Ph, CF3, CN, OH, SO2NRR', NRR' et CO2R, R et R' étant indépendamment choisis parmi H et alkyle inférieur; Ar1 et Ar2 sont des groupes Ar indépendamment choisis; R3 est choisi parmi H et Ar; R4, R5, R6 et R7 sont indépendamment choisis parmi H et alkyle inférieur; R8 est choisi parmi H et un groupe alkyle possédant jusqu'à 8 atomes de carbone, X est choisi dans le groupe constitué de S, SO, SO2, NR et CRR', R et R' étant indépendamment choisis parmi H et alkyle inférieur. La présente invention concerne également des stéréoisomères, sels, solvates ou hydrates desdits composés, ainsi que l'utilisation de ces composés en tant que substances pharmaceutiques.