N-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzamide

• 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: N-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzamide
• 化学式: C₁₅H₁₂F₃NO₃
• 分子量: 311.25
• InChiKey: KIGQTBJPPYYKNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Glycopeptide Antibiotic Derivative
  申请人：Nishitani Yasuhiro

  公开号：US20090286717A1

  公开（公告）日：2009-11-19

  The present invention provides a novel glycopeptide antibiotic derivative. These derivatives are represented by the formula (I) or a pharmaceutically acceptable salt or solvate thereof, wherein R A is —X 1 —Ar 1 —X 2 —Y—X 3 —Ar 2 wherein X 1 , X 2 and X 3 are single bond; heteroatom-containing group selected from the group consisting of —N═, ═N—, —NR 1 — (R 1 is hydrogen or lower alkyl), —O—, —S—, —SO— and —SO 2 —, or a linkage thereof; or alkylene or alkenylene optionally substituted and optionally interrupted by one or more of said heteroatom-containing group; Y is —NR 2 CO—, —CONR 2 — (R 2 is hydrogen or lower alkyl), or a group of the formula (II) wherein R 3 is alkylene; Ar 1 and Ar 2 are a carbocycle or a heterocycle which is optionally substituted and may have an unsaturated bond; R B is —NHNR X R Y or —NR Z OR W wherein R X is hydrogen or lower alkyl; R Y is hydrogen, optionally substituted lower alkyl, C(═NH)NH 2 , CSNH 2 , COCONH 2 , CN, optionally substituted heterocyclic group, and optionally substituted carbamoyl; R Z is hydrogen or lower alkyl; R W is hydrogen, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted heterocyclic group, optionally substituted heterocyclic carbonyl or optionally substituted carbamoyl; R C is hydrogen or optionally substituted alkyl, wherein said alkyl may be interrupted by a heteroatom-containing group selected from N═, ═N—, —NR 1 — (R 1 is hydrogen or lower alkyl), —O—, —S—, —SO— and —SO 2 —; and R is optionally substituted alkyl.

  本发明提供了一种新型的糖肽抗生素衍生物。这些衍生物由以下式（I）或其药学上可接受的盐或溶剂表示，其中RA为—X1—Ar1—X2—Y—X3—Ar2，其中X1、X2和X3为单键；从—N═、═N—、—NR1—（R1为氢或较低的烷基）、—O—、—S—、—SO—和—SO2—中选择的含有杂原子的基团，或者它们的连接；或者由一个或多个上述含有杂原子的基团选择性取代和选择性中断的烷基或烯基；Y为—NR2CO—、—CONR2—（R2为氢或较低的烷基），或者具有以下式（II）的基团，其中R3为烷基；Ar1和Ar2为可能取代且可能具有不饱和键的碳环或杂环；RB为—NHNRXRY或—NRZORW，其中RX为氢或较低的烷基；RY为氢、选择性取代的较低烷基、C(═NH)NH2、CSNH2、COCONH2、CN、选择性取代的杂环基团和选择性取代的氨基甲酰；RZ为氢或较低的烷基；RW为氢、选择性取代的较低烷基、选择性取代的较低烯基、选择性取代的杂环基团、选择性取代的杂环酰基或选择性取代的氨基甲酰；RC为氢或选择性取代的烷基，其中所述的烷基可以被从—N═、═N—、—NR1—（R1为氢或较低的烷基）、—O—、—S—、—SO—和—SO2—中选择的含有杂原子的基团中断；且R为选择性取代的烷基。
• GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP2030982A1

  公开（公告）日：2009-03-04

  The present invention provides a novel glycopeptide antibiotic derivative. These derivatives are represented by the formula (I) or a pharmaceutically acceptable salt or solvate thereof, wherein RA is         -X1-Ar1-X2-Y-X3-Ar2 wherein X1, X2 and X3 are single bond; heteroatom-containing group selected from the group consisting of -N=, =N-, - NR1- (R1 is hydrogen or lower alkyl), -O-, -S-, -SO- and -SO2-, or a linkage thereof; or alkylene or alkenylene optionally substituted and optionally interrupted by one or more of said heteroatom-containing group; Y is -NR2CO-, -CONR2- (R2 is hydrogen or lower alkyl), or a group of the formula (II) wherein R3 is alkylene; Ar1 and Ar2 are a carbocycle or a heterocycle which is optionally substituted and may have an unsaturated bond; RB is         -NHNRXRY or -NRZORW wherein RX is hydrogen or lower alkyl; RY is hydrogen, optionally substituted lower alkyl, C(=NH)NH2, CSNH2, COCONH2, CN, optionally substituted heterocyclic group, and optionally substituted carbamoyl; RZ is hydrogen or lower alkyl; RW is hydrogen, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted heterocyclic group, optionally substituted heterocyclic carbonyl or optionally substituted carbamoyl; RC is hydrogen or optionally substituted alkyl, wherein said alkyl may be interrupted by a heteroatom-containing group selected from N=, =N-, -NR1- (R1 is hydrogen or lower alkyl), -O-, -S-, -SO- and -SO2-; and R is optionally substituted alkyl.

  本发明提供了一种新型糖肽抗生素衍生物。 这些衍生物由式（I）表示 或其药学上可接受的盐或溶液、 其中 RA 是 -X1-Ar1-X2-Y-X3-Ar2 其中 X1、X2 和 X3 为单键；选自-N=、=N-、-NR1-（R1 为氢或低级烷基）、-O-、-S-、-SO- 和-SO2- 组成的组中的含杂原子基团或其连接体；或任选被一个或多个所述含杂原子基团取代和任选被一个或多个所述含杂原子基团打断的亚烷基或烯基； Y 是-NR2CO-、-CONR2-（R2 是氢或低级烷基）或式 (II) 的基团，其中 R3 是亚烷基； Ar1 和 Ar2 是碳环或杂环，碳环或杂环被任选取代，并可能具有不饱和键； RB 是 -NHNRXRY或-NRZORW 其中 RX 是氢或低级烷基 RY 是氢、任选取代的低级烷基、C(=NH)NH2、CSNH2、COCONH2、CN、任选取代的杂环基团和任选取代的氨基甲酰基； RZ 是氢或低级烷基； RW 是氢、任选取代的低级烷基、任选取代的低级烯基、任选取代的杂环基团、任选取代的杂环羰基或任选取代的氨基甲酰基； RC 是氢或任选取代的烷基，其中所述烷基可被选自 N=、=N-、-NR1-（R1 是氢或低级烷基）、-O-、-S-、-SO- 和 -SO2- 的含杂原子基团打断；以及 R 是任选取代的烷基。
• US8933012B2
  申请人：——

  公开号：US8933012B2

  公开（公告）日：2015-01-13