Nona-3,6-dienyl 4-methylbenzenesulfonate

• 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: Nona-3,6-dienyl 4-methylbenzenesulfonate
• 英文别名: nona-3,6-dienyl 4-methylbenzenesulfonate
• 化学式: C₁₆H₂₂O₃S
• 分子量: 294.4
• InChiKey: MZYCRMXDQHZTBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Anti-cancer nitro- and thia-fatty acids
  申请人：——

  公开号：US20030078299A1

  公开（公告）日：2003-04-24

  The present invention relates to pharmaceutical compositions comprising, as an anti-cancer agent: (a) one or more compounds having the formula NO 2 —A—B, 1 wherein A is a saturated or unsaturated hydrocarbon chain of 14-26 double bonds, and B is (CH 2 ) m (COOH) n in which n is a 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 16 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 &bgr;-oxa, &ggr;-oxa, &bgr;-thia, &ggr;-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 (CH 2 ) 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.

  本发明涉及制药组合物，包括作为抗癌剂的：(a) 一个或多个具有式NO2—A—B,1的化合物，其中A是14-26个双键的饱和或不饱和碳氢链，B是(CH2)m(COOH)n，其中n是0到2的整数，m是0到2的整数；或其衍生物，其中碳氢链具有羟基、过氧化氢基、环氧基和过氧基中的一种或多种取代；(b) 一种或多种选择自具有16到26个碳原子链和3到16个双键的多不饱和脂肪酸（PUFA），其中PUFA在羧酸基上与选择自甘氨酸和天冬氨酸的氨基酸共价耦合；(c) 一种或多种选择自具有18到25个碳原子链和1到6个双键的不饱和脂肪酸，其中脂肪酸具有一或两个β-氧杂、γ-氧杂、β-硫杂、γ-硫杂取代；或(d) 公式(I)中A′是9-26个碳原子的饱和或不饱和碳氢链，X是氧或不存在，B′是( )J(COOH)k，其中j是1到3的整数，k是0或1；或其衍生物，其中碳氢链具有羟基、过氧化氢基、环氧基和过氧基中的一种或多种取代；以及药学上可接受的载体或稀释剂。
• HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS
  申请人：Miller Raymond A.

  公开号：US20110082206A1

  公开（公告）日：2011-04-07

  Activated fatty acids, pharmaceutical compositions including activated fatty acids, methods for using activated fatty acids to treat a variety of diseases, and methods for preparing activated fatty acids are provided herein.

  本文提供了活化脂肪酸、包括活化脂肪酸的制药组合物、使用活化脂肪酸治疗各种疾病的方法以及制备活化脂肪酸的方法。
• Anti-inflammatory nitro and thia-fatty acids
  申请人：——

  公开号：US20030092762A1

  公开（公告）日：2003-05-15

  The present invention relates to compounds of the general formula: NO 2 -A-B wherein A is a saturated or unsaturated hydrocarbon chain of 14-26 carbon atoms and B is (CH 2 ) n (COOH) m in which n is an integer from 0 to 2 and m is an integer from 0 to 2; or of general 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 (CH 2 ) j (COOH) k in which j is an integer from 1 to 3 and k is 0 or 1; and the derivatives thereof in which the hydrocarbon chain includes one or more than one substitution selected from the group consisting of hydroxy, hydroperoxy, epoxy and peroxy. These compounds have biological activity, e.g. as anti-infective or anti-inflammatory agents.

  本发明涉及一般式为：NO2-A-B的化合物，其中A是14-26个碳原子的饱和或不饱和碳氢链，B是(CH2)n(COOH)min，其中n是0到2的整数，m是0到2的整数；或一般式(I)的化合物，其中A′是9-26个碳原子的饱和或不饱和碳氢链，X是氧或不存在，B′是( )j(COOH)kin，其中j是1到3的整数，k是0或1；以及其衍生物，其中碳氢链包括一个或多个羟基，过氧化氢基，环氧基和过氧基的取代。这些化合物具有生物活性，例如作为抗感染或抗炎剂。
• Anti-inflammatory nitro-and thia-fatty acids
  申请人：Ferrante Antonio

  公开号：US20050176815A1

  公开（公告）日：2005-08-11

  The present invention relates to compounds of the general formula: NO 2 -A-B wherein A is a saturated or unsaturated hydrocarbon chain of 14-26 carbon atoms and B is (CH 2 ) n (COOH) m in which n is an integer from 0 to 2 and m is an integer from 0 to 2; or of general 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 (CH 2 ) j (COOH) k in which j is an integer from 1 to 3 and k is 0 or 1; and the derivatives thereof in which the hydrocarbon chain includes one or more than one substitution selected from the group consisting of hydroxy, hydroperoxy, epoxy and peroxy. These compounds have biological activity, e.g. as anti-infective or anti-inflammatory agents.

  本发明涉及一般式为NO2-A-B的化合物，其中A是14-26个碳原子的饱和或不饱和碳氢链，B是(CH2)n(COOH)min，其中n为0到2的整数，m为0到2的整数；或者一般式(I)中，A'是9-26个碳原子的饱和或不饱和碳氢链，X为氧或不存在，B'为( )j(COOH)kin，其中j为1到3的整数，k为0或1；以及其衍生物，其中碳氢链包括一个或多个羟基、羟过氧基、环氧基和过氧基的取代。这些化合物具有生物活性，例如作为抗感染或抗炎剂。
• Anti-inflammatory nitro- and thia-fatty acids
  申请人：Ferrante Antonio

  公开号：US20050176816A1

  公开（公告）日：2005-08-11

  The present invention relates to compounds of the general formula: NO 2 -A-B wherein A is a saturated or unsaturated hydrocarbon chain of 14-26 carbon atoms and B is (CH 2 ) n (COOH) m in which n is an integer from 0 to 2 and m is an integer from 0 to 2; or of general 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 (CH 2 ) j (COOH) k in which j is an integer from 1 to 3 and k is 0 or 1; and the derivatives thereof in which the hydrocarbon chain includes one or more than one substitution selected from the group consisting of hydroxy, hydroperoxy, epoxy and peroxy. These compounds have biological activity, e.g. as anti-infective or anti-inflammatory agents.

  本发明涉及一般式为NO2-A-B的化合物，其中A是14-26个碳原子的饱和或不饱和碳氢链，B是（CH2）n（COOH）min，其中n为0到2的整数，m为0到2的整数；或一般式（I）中，A'是9-26个碳原子的饱和或不饱和碳氢链，X是氧或不存在，B'是（ ）j（COOH）kin，其中j为1到3的整数，k为0或1；以及其中烃链包括一种或多种羟基，羟过氧化物，环氧和过氧化物等取代基的衍生物。这些化合物具有生物活性，例如作为抗感染或抗炎剂。