Acetic acid--nonan-1-ol (1/1) | 475501-49-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Acetic acid--nonan-1-ol (1/1)
• 英文别名: acetic acid;nonan-1-ol
• CAS: 475501-49-6
• 化学式: C11H24O3
• 分子量: 204.31
• InChiKey: JTPDGNMHEBBSLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  14
• 可旋转键数：
  7
• 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

• [EN] MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS<br/>[FR] DERIVES DE QUINAZOLINE MACROCYCLIQUE UTILISES COMME AGENTS ANTIPROLIFERATIFS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004105765A1

  公开（公告）日：2004-12-09

  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, CH2, NH or S; in particular Z represents NH; Y represents -C3-9alkyl-, -C3-9alkenyl-, -C3-9alkynyl-, -C3-7alkyl-CO-NH- optionally substituted with amino, mono- or di(C1-4alkyl)amino or C1-4 alkyloxycarbonylamino-, -C3-7alkenyl-CO-NH- optionally substituted with amino, mono- or di(C1-4alkyl)amino- or C1-4alkyloxycarbonylamino-, C1-5alkyl-oxy-C1-5alkyl-, -C1-5alkyl NR13-, -C1-5alkyl-, -C1-5alkyl-NR14-CO-C1-5alkyl-, -C1-5alkyl-CO NR15-C1-5alkyl-, -C1-6alkyl-CO-NH-, -C1-6alkyl-NH-CO-, -C1-3alkyl-NH-CS-Het20-, -C1-3alkyl-NH-CO-Het20-, -C1-2alkyl-CO-Het21-CO-, -Het22-CH2-CO-NH-C1-3alkyl-, -CO-NH-C1-6alkyl-, -NH-CO-C1-6alkyl-, -CO-C1-7alkyl-, -C1-7alkyl-CO-, -C1-6alkyl-CO-C1-6alkyl-, -C1-2alkyl-NH-CO-CR16R17-NH-, -C1-2alkyl-CO-NH-CR18R19-CO-, -C1-2alkyl-CO-NR20-C1-3alkyl-CO-, C1-2alkyl-NR21-CH2-CO-NH-C1-3alkyl-, or -NR22-CO-C1-3alkyl-NH-; X1 represents a direct bond, O or -O-C1-2alkyl-, CO, -CO-C1-2alkyl-, NR11, -NR11-C1-2alkyl-, CH2-, -O-N=CH- or -C1-2alkyl-; X2 represents a direct bond, O, -O-C1-2alkyl-, CO, -CO-C1-2alkyl-, NR12, -NR12-C1-2alkyl-, -CH2-, -O-N=CH- or -C1-2alkyl-. The growth inhibitory effect anti-tumour activity of the present compounds has been demonstrated in vitro, in enzymatic assays on the receptor tyrosine kinase EGFR.

  本发明涉及公式（I）的化合物，其N-氧化物形式，药用可接受的加合物盐及其立体化异构形式，其中Z代表O、CH2、NH或S；特别是Z代表NH；Y代表-C3-9烷基，-C3-9烯基，-C3-9炔基，-C3-7烷基-CO-NH-（可选择地被氨基，单或双（C1-4烷基）氨基或C1-4烷氧羰氨基取代），-C3-7烯基-CO-NH-（可选择地被氨基，单或双（C1-4烷基）氨基或C1-4烷氧羰氨基取代），C1-5烷氧基-C1-5烷基，-C1-5烷基-NR13-，-C1-5烷基，-C1-5烷基-NR14-CO-C1-5烷基，-C1-5烷基-CO NR15-C1-5烷基，-C1-6烷基-CO-NH-，-C1-6烷基-NH-CO-，-C1-3烷基-NH-CS-Het20-，-C1-3烷基-NH-CO-Het20-，-C1-2烷基-CO-Het21-CO-，-Het22- -CO-NH-C1-3烷基-，-CO-NH-C1-6烷基-，-NH-CO-C1-6烷基-，-CO-C1-7烷基-，-C1-7烷基-CO-，-C1-6烷基-CO-C1-6烷基-，-C1-2烷基-NH-CO-CR16R17-NH-，-C1-2烷基-CO-NH-CR18R19-CO-，-C1-2烷基-CO-NR20-C1-3烷基-CO-，C1-2烷基-NR21- -CO-NH-C1-3烷基-，或-NR22-CO-C1-3烷基-NH-；X1代表直接键，O或-O-C1-2烷基-，CO，-CO-C1-2烷基-，NR11，-NR11-C1-2烷基-， -，-O-N=CH-或-C1-2烷基-；X2代表直接键，O，-O-C1-2烷基-，CO，-CO-C1-2烷基-，NR12，-NR12-C1-2烷基-，- -，-O-N=CH-或-C1-2烷基-。本发明化合物的生长抑制效应和抗肿瘤活性已在体外实验中，在EGFR受体酪氨酸激酶的酶促活性测定中得到证明。
• MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1633365A1

  公开（公告）日：2006-03-15
• Quinazoline derivatives
  申请人：Freyne Eddy Jean Edgard

  公开号：US20100105668A1

  公开（公告）日：2010-04-29

  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.
• US6844302B1
  申请人：——

  公开号：US6844302B1

  公开（公告）日：2005-01-18
• US7648975B2
  申请人：——

  公开号：US7648975B2

  公开（公告）日：2010-01-19