3-allyl-2-hydroxy-5-methylbenzaldehyde | 18775-12-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-allyl-2-hydroxy-5-methylbenzaldehyde
• 英文别名: 3-allyl-5-methylsalicylaldehyde；2-Hydroxy-5-methyl-3-(prop-2-en-1-yl)benzaldehyde；2-hydroxy-5-methyl-3-prop-2-enylbenzaldehyde
• CAS: 18775-12-7
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: RCZMKIRGQRKANG-UHFFFAOYSA-N

物化性质

• 沸点：
  98 °C(Press: 2 Torr)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-allyl-2-hydroxy-5-methylbenzaldehyde 生成 3-allyl-2-(2-hydroxy-ethoxy)-5-methyl-benzaldehyde
  参考文献：
  名称：

  N-(4- carbamimidoyl-phenyl) -glycine derivatives

  摘要：

  这项发明涉及一种新颖的公式为N-(4-羰基苄基)-甘氨酸衍生物，其中R1、E、X1至X4以及G1和G2如描述和权利要求中所定义，以及其水合物或溶剂合物和生理可用盐。

  公开号：

  US20010001799A1
• 作为产物：
  描述：

  2-(allyloxy)-5-methylbenzaldehyde 生成 3-allyl-2-hydroxy-5-methylbenzaldehyde
  参考文献：
  名称：

  Synthesis and cytotoxic activity of novel 2,6-disubstituted-4-mor-pholinothieno[3,2-d]pyrimidines as potent anti-tumor agents

  摘要：

  A series of 2,6-disubstituted-4-morpholinothieno[3,2-d]pyrimidine derivatives were synthesized and their cytotoxic activity against H460, HT-29, MDA-MB-231, U87MG and H1975 cancer cell lines were evaluated in vitro Most of the target compounds exhibited moderate to excellent activity to the tested cell lines. The most promising compound 23 (0.84 mu mol/L, 0.23 mu mol/L, 2.52 mu mol/L, 1.80 mu mol/L) was 1.0, 2.9, 29.3 and 4.3 times more active than GDC-0941 (0.87 mu mol/L, 0.66 mu mol/L, 73.8 mu mol/L, 7.77 mu mol/L) against H460, HT-29, MDA-MB-231 and U87MG cell lines, respectively. (C) 2012 Ya Jing Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.012

文献信息

• Synthesis and Cytotoxicity Studies of Novel 2-Hydrazonylpyrido[2,3-b]pyrazin-3(4H)-ones
  作者：Guogang Zhang、Yajing Liu、Shuobing Wang、Chuan Zhou、Qingchang Huang、Ping Gong

  DOI：10.1002/ardp.201100103

  日期：2012.1

  to develop potent antitumor agents, a series of novel 2‐hydrazonylpyrido[2,3‐b]pyrazin‐3(4H)‐one derivatives were designed and synthesized. All the prepared compounds were screened for their cytotoxic activities against A549, MDA‐MB‐231 and HT‐29 cell lines in vitro. Pharmacological data indicated that five of the target compounds showed cytotoxicity against A549 cell line below a concentration of

  为了开发有效的抗肿瘤剂，设计并合成了一系列新型 2-腙基吡啶并[2,3-b]吡嗪-3(4H)-one衍生物。筛选了所有制备的化合物在体外对 A549、MDA-MB-231 和 HT-29 细胞系的细胞毒活性。药理学数据表明，5 种目标化合物在浓度低于 1 µM 时对 A549 细胞系显示出细胞毒性。化合物 15g 是最有效的一种，对 A549、MDA-MB-231 和 HT29 细胞系的 IC50 值分别为 0.19、2.11 和 2.15 µM。
• N- (4-carbamimidoyl-phenyl) -glycine derivatives
  申请人：——

  公开号：US20030083504A1

  公开（公告）日：2003-05-01

  The invention is concerned with novel N-(4-carbamimidoyl-phenyl)-glycine derivatives of the formula: 1 wherein R 1 , E, X 1 to X 4 and G 1 and G 2 are as defined in the description and the claims, as well as hydrates or solvates and physiologically usable salts thereof.

  本发明涉及一种新的N-(4-氨基甲酰基苯基)-甘氨酸衍生物，其化学式为：1，其中R1、E、X1至X4和G1和G2如说明书和权利要求所定义，以及其水合物或溶剂化合物和生理上可用的盐。
• PHENYLGLYCINE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1149069A1

  公开（公告）日：2001-10-31
• THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF
  申请人：H. LEE CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20170027893A1

  公开（公告）日：2017-02-02

  Lysophosphatidic acid acyltransferase-beta (LPAAT-β) catalyzes the production of phosphatidic acid (PA) from lysophosphatidic acid (LPA). The lipid cofactor PA contributes to the activation of c-Raf, BRAF, mTOR and PKC-ζ. LPAAT-β expression is a prognostic factor in gynecologic malignancies and is being investigated as a therapeutic target in a variety of tumor types. A class of thiosemicarbazones was identified as inhibitors of LPAAT-β from a screen of a library of small molecules. A focused library of thiosemicarbazones derivatives was prepared and led to the development of compounds which potently inhibit LPAAT-β and inhibit the growth of MiaPaCa2 human pancreatic cancer cells.
• US6242644B1
  申请人：——

  公开号：US6242644B1

  公开（公告）日：2001-06-05