(3E,6E,9E)-18-nitrooctadeca-3,6,9-triene

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (3E,6E,9E)-18-nitrooctadeca-3,6,9-triene
• 化学式: C18H31NO2
• 分子量: 293.4
• InChiKey: WTEODYNYUACWIM-IUQGRGSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• ANTI-CANCER NITRO- AND THIA-FATTY ACIDS
  申请人：WOMEN'S AND CHILDREN'S HOSPITAL

  公开号：EP1218000A1

  公开（公告）日：2002-07-03
• EP1218000A4
  申请人：——

  公开号：EP1218000A4

  公开（公告）日：2003-07-09
• MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION
  申请人：Children, Youth and Women's Health Service Incorporated

  公开号：EP2120916A1

  公开（公告）日：2009-11-25
• [EN] ANTI-CANCER NITRO- AND THIA-FATTY ACIDS<br/>[FR] ACIDES GRAS NITRO ET THIA EN TANT QU'AGENTS ANTICANCEREUX
  申请人：WOMENS & CHILDRENS HOSPITAL

  公开号：WO2001021172A1

  公开（公告）日：2001-03-29

  The present invention relates to pharmaceutical compositions comprising, as an anti-cancer agent: (a) one or more compounds having the formula NO2-A-B, wherein A is a saturated or unsaturated hydrocarbon chain of 14-26 double bonds, and B is (CH2)m(COOH)n in which n is an integer from 0 to 2 and m is an integer from 0 to 2; or a derivative thereof in which the hydrocarbon chain has one or more than one substitution selected from the group consisting of hydroxy, hydroperoxy, epoxy and peroxy; (b) one or more compounds selected from polyunsaturated fatty acids (PUFA's) having a 16 to 26 carbon atom chain and 3 to 6 double bonds, and wherein the PUFA is covalently coupled at the carboxylic acid group to an amino acid selected from glycine and aspartic acid; (c) one or more compounds selected from unsaturated fatty acids having an 18 to 25 carbon atom chain and 1 to 6 double bonds and wherein the fatty acid has one or two β-oxa, η-oxa, β-thia, η-thia substitutions; or (d) one or more compounds having formula (I) wherein A' is a saturated or unsaturated hydrocarbon chain of 9-26 carbon atoms, X is oxygen or is absent and B' is (CH2)j(COOH)k in which j is an integer from 1 to 3 and k is 0 or 1; or a derivative thereof in which the hydrocarbon chain has one or more than one substitution selected from the group consisting of hydroxy, hydroperoxy, epoxy and peroxy; and a pharmaceutically acceptable carrier or diluent.
• [EN] MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION<br/>[FR] MODULATEURS DE LA PROLIFÉRATION DES LYMPHOCYTES T DÉPENDANTE D'UN ANTIGÈNE
  申请人：CHILDREN YOUTH AND WOMEN S HEA

  公开号：WO2009006668A1

  公开（公告）日：2009-01-15

  The present invention relates to a method of inhibiting antigen-dependent proliferation of T-cells in a subject without substantially inhibiting mitogen-dependent proliferation of T-cells in the subject. The method includes administering to the subject an effective amount of a polyunsaturated fatty acid, or a salt or derivative of a polyunsaturated fatty acid.