Acetic acid--9-bromononan-1-ol (1/1) | 53596-82-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Acetic acid--9-bromononan-1-ol (1/1)
• 英文别名: acetic acid;9-bromononan-1-ol
• CAS: 53596-82-0
• 化学式: C11H23BrO3
• 分子量: 283.2
• InChiKey: OGINAFBBYVPFID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Quinazoline derivatives
  申请人：Janssen Pharmaceutica NV

  公开号：EP2305687A1

  公开（公告）日：2011-04-06

  The present invention concerns the compounds of formula the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein Z represents NH; Y represents -C3-9alkyl-, -C2-9alkenyl-, -C3-7alkyl-CO-NH optionally substituted with amino, mono - or di(C1-4alkyl)amino or C1-4alkyloxycarbonylamino-, -C3-7alkenyl-CO-NH- optionally substituted with amino, mono- or di(C1- 4alkyl)amino- or C1-4alkyloxycarbonylamino-, C1-5alkyl-NR13-C1-5alkyl-, -C1-5alkyl-NR14-CO-C1-5alkyl-, -C1-6alkyl-CO-NH-, -C1-5alkyl-CO NR15-C1-5alkyl-, -C1-3alkyl-NH-CO-Het20-, -C1-2alkyl-CO-Het21-CO-, -C1-2alkyl-NH-CO-CR16R17-NH-, -C1-2alkyl-CO-NH-CR18R19-CO-, -C1-2alkyl-CO-NR20-C1-3alkyl-CO-, or -NR22-CO-C1-3alkyl-NH-; X1 represents a direct bond, O or-O-C1-2alkyl-; X2 represents a direct bond, -CO-C1- 2alkyl-, NR12, -NR12-C1-2alkyl-, -O-N=CH- or -C1-2alkyl-; R1 and R2 each independently represents hydrogen or halo; R3 represents hydrogen; R4 represents hydrogen or C1-4alkyloxy; R12 and R13 each independently represents hydrogen or C1-4alkyl; R14 and R15 represents hydrogen; R16 and R17 each independently represent hydrogen or C1-4alkyl; R18 and R19 each independently represent hydrogen or C1-4alkyl optionally substituted with phenyl or hydroxy; R20 and R21 each independently represent hydrogen or C1-4alkyl optionally substituted with C1-4alkyloxy; Het20, Het21 and Het22 each independently represent a heterocycle selected from the group consisting pyrrolidinyl, 2-pyrrolidinonyl or piperidinyl optionally substituted with hydroxy.

  本发明涉及式化合物 的 N-氧化物形式、药学上可接受的加成盐及其立体异构形式，其中 Z 代表 NH Y 代表-C3-9烷基-、-C2-9烯基-、-C3-7烷基-CO-NH，任选被氨基、单-或二(C1-4烷基)氨基或 C1-4 烷氧基羰基氨基取代、 -C3-7烷基-CO-NH-任选被氨基、单-或二(C1-4烷基)氨基-或 C1-4烷氧基羰基氨基-取代、 C1-5alkyl-NR13-C1-5alkyl-, -C1-5alkyl-NR14-CO-C1-5alkyl-, -C1-6alkyl-CO-NH-, -C1-5烷基-CO NR15-C1-5烷基-，-C1-3烷基-NH-CO-Het20-、 -C1-2alkyl-CO-Het21-CO-, -C1-2alkyl-NH-CO-CR16R17-NH-, -C1-2alkyl-CO-NH-CR18R19-CO-, -C1-2alkyl-CO-NR20-C1-3alkyl-CO-, or -NR22-CO-C1-3alkyl-NH-; X1 代表直接键、O 或-O-C1-2烷基-； X2 代表直接键、-CO-C1-2烷基-、NR12、-NR12-C1-2烷基-、-O-N=CH- 或-C1-2烷基-； R1 和 R2 各自独立地代表氢或卤素； R3 代表氢； R4 代表氢或 C1-4 烷氧基； R12和R13各自独立地代表氢或C1-4烷基 R14 和 R15 各自独立地代表氢或 C1-4 烷基； R18 和 R19 各自独立地代表氢或任选被苯基或羟基取代的 C1-4 烷基； R20 和 R21 各自独立地代表氢或被 C1-4 烷氧基任选取代的 C1-4 烷基； Het20、Het21 和 Het22 各自独立地代表选自由羟基取代的吡咯烷基、2-吡咯烷壬基或哌啶基组成的杂环。
• MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1633365B1

  公开（公告）日：2012-02-08
• Macrocyclic quinazoline derivatives as antiproliferative agents
  申请人：Freyne Edgard Eddy Jean

  公开号：US20060247237A1

  公开（公告）日：2006-11-02

  The present invention concerns the compounds of formula (I) the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein Z represents O, CH 2 , NH or S; in particular Z represents NH; Y represents —C 3-9 alkyl-, —C 3-9 alkenyl-, —C 3-9 alkynyl-, —C 3-7 alkyl-CO—NH— optionally substituted with amino, mono- or di(C 1-4 alkyl)amino or C 1-4 alkyloxycarbonylamino-, —C 3-7 alkenyl-CO—NH— optionally substituted with amino, mono- or di(C 1-4 alkyl)amino- or C 1-4 alkyloxycarbonylamino-, C 1-5 alkyl-oxy-C 1-5 alkyl-, —C 1-5 alkyl NR 13 —, —C 1-5 alkyl-, —C 1-5 alkyl-NR 14 —CO—C 1-5 alkyl-, —C 1-5 alkyl-CO NR 15 —C 1-5 alkyl-, —C 1-6 alkyl-CO—NH—, —C 1-6 alkyl-NH—CO—, —C 1-3 alkyl-NH—CS-Het 20 -, —C 1-3 alkyl-NH—CO-Het 20 , —C 1-2 alkyl-CO-Het 21 -CO—, -Het 22 -CH 2 —CO—NH—C 1-3 alkyl-, —CO—NH—C 1-6 alkyl-, —NH—CO—C 1-6 alkyl-, —CO—C 1-7 alkyl-, —C 1-7 alkyl-CO—, —C 1-6 alkyl-CO—C 1-6 alkyl-, —C 1-2 alkyl-NH—CO—CR 16 R 17 —NH—, —C 1-2 alkyl-CO—NH—CR 18 R 19 —CO—, —C 1-2 alkyl-CO—NR 20 —C 1-3 alkyl-CO—, C 1-2 alkyl-NR 21 —CH 2 —CO—NH—C 1-3 alkyl-, or NR 22 —CO—C 1-3 alkyl-NH—, X 1 represents a direct bond, O or —O—C 1-2 alkyl-, CO, —CO—C 1-2 alkyl-, NR 11 , —NR 11 —C 1-2 alkyl-, —CH 2 —, —O—N═CH— or —C 1-2 alkyl-; X 2 represents a direct bond, O, —O—C 1-2 alkyl-, CO, —CO—C 1-2 alkyl-, NR 12 , —NR 12 —C 1-2 alkyl-, —CH 2 —, —O—N═CH— or —C 1-2 alkyl-. The growth inhibitory effect anti-tumour activity of the present compounds has been demonstrated in vitro, in enzymatic on the receptor tyrosine kinase EGFR.
• QUINAZOLINE DERIVATIVES
  申请人：Janssen Pharmaceutica N.V.

  公开号：US20130178624A1

  公开（公告）日：2013-07-11

  The present invention concerns the compounds of formula wherein Z represents NH; Y represents —C 3-9 alkyl-, —C 2-9 alkenyl-, —C 3-7 alkyl-CO—NH optionally substituted with amino, mono- or di(C 1-4 alkyl)amino or C 1-4 alkyloxycarbonylamino-, —C 3-7 alkenyl-CO—NH— optionally substituted with amino, mono- or di(C 1-4 alkyl)amino- or C 1-4 alkyloxycarbonylamino-, C 1-5 alkyl-NR 13 —C 1-5 alkyl-, —C 1-5 alkyl-NR 14 —CO—C 1-5 alkyl-, —C 1-6 alkyl-CO—NH—, —C 1-5 alkyl-CO NR 15 —C 1-5 alkyl-, —C 1-3 alkyl-NH—CO-Het 20 -, —C 1-2 alkyl-CO-Het 21 -CO—, —C 1-2 alkyl-NH—CO—CR 16 R 17 —NH—, —C 1-2 alkyl-CO—NH—CR 18 R 19 —CO—, —C 1-2 alkyl-CO—NR 20 —C 1-3 alkyl-CO—, or —NR 22 —CO—C 1-3 alkyl-NH—; X 1 represents a direct bond, O or —O—C 1-2 alkyl-; X 2 represents a direct bond, —CO—C 1-2 alkyl-, NR 12 , —NR 12 —C 1-2 alkyl, —O—N═CH— or —C 1-2 alkyl-; R 1 and R 2 are hydrogen or halo; R 3 are hydrogen; R 4 represents hydrogen or C 1-4 alkyloxy; R 12 and R 13 are hydrogen or C 1-4 alkyl; R 14 and R 15 are hydrogen; R 16 and R 17 each independently represent hydrogen or C 1-4 alkyl; R 18 and R 19 are hydrogen or C 1-4 alkyl optionally substituted with phenyl or hydroxy; R 20 and R 21 are hydrogen or C 1-4 alkyl optionally substituted with C 1-4 alkyloxy; Het 20 , Het 21 and Het 22 are a heterocycle selected from the group consisting pyrrolidinyl, 2-pyrrolidinonyl or piperidinyl optionally substituted with hydroxy.
• US9273013B2
  申请人：——

  公开号：US9273013B2

  公开（公告）日：2016-03-01