3-氧代月桂醛 | 56505-80-7

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-氧代月桂醛
• 中文别名: 合成鱼腥草素
• 英文名称: houttuynin
• 英文别名: decanoyl acetaldehyde；3-oxododecanal
• CAS: 56505-80-7
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: QBDCOUHKEVYWLO-UHFFFAOYSA-N

物化性质

• 沸点：
  277.8±23.0 °C(Predicted)
• 密度：
  0.897±0.06 g/cm3(Predicted)
• LogP：
  3.409 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-氧代月桂醛 生成 3-semicarbazono-dodecanal semicarbazone
  参考文献：
  名称：

  Kosuge, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1952, vol. 72, p. 1227,1231

  摘要：

  DOI：
• 作为产物：
  描述：

  鱼腥草素纳 在 sodium carbonate 作用下， 以 水 为溶剂， 生成 3-氧代月桂醛
  参考文献：
  名称：

  Development and Verification of a Precolumn Derivatization LC-MS/MS Method for the Pharmacokinetic Study of Houttuynine of Houttuynia Essential Oil

  摘要：

  油麻莲精油（HEO）具有出色的抗病毒、抗炎和其他药理作用，但缺乏有效的分析方法来量化血浆中的HEO，从而阻碍了其更好的临床监测。油麻莲碱（Hou）是HEO的主要活性成分和质量控制物质之一，因此可以通过确定Hou的血液浓度来进行HEO的药代动力学研究。Hou在血浆中活性高而不稳定，使其血液浓度难以测量。本研究建立了一种新型的液相色谱串联质谱（LC-MS/MS）方法，用于测定大鼠血液中的Hou，该方法涉及将Hou与2,4-二硝基苯肼衍生化以形成稳定的化合物以防止降解。在此，对甲基苯甲醛-2,4-二硝基苯肼酮选择为内标物质，并对LC-MS/MS方法进行了选择性、精密度、准确度、校准限、基质效应、回收率和稳定性评估。在2-2000 ng / mL的范围内达到了良好的线性度（r2 = 0.998），Hou的定量下限确定为2 ng / mL。平均内部测定准确度范围为77.7％至115.6％，而内部测定精密度（相对标准偏差，RSD）低于11.42％。大鼠血浆中Hou的基质效应值大于75％，而内标（IS）的基质效应值为104.56％±3.62％。Hou的提取回收率不低于90％，而IS为96.50％±4.68％。我们的方法敏感可靠，并已成功应用于口服和注射HEO的大鼠中Hou的药代动力学分析。

  DOI：

  10.3390/molecules26082327

文献信息

• Immunosuppressant n-acyles homoserine lactones
  申请人：——

  公开号：US20030171371A1

  公开（公告）日：2003-09-11

  New N-acyl homoserine lactone compounds of the formula (I) in whichR is an acyl group of the formula (II) wherein one of R 1 and R 2 is H and the other is selected from OR 4 , SR 4 and NHR 4 , wherein R 4 is H or 1-6C alkyl, or R 1 and R 2 together with the carbon atom to which they are joined form a keto group, and R 3 containing from 8 to 11 carbon atoms and is optionally substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl, carbamoyl optionally mono- or disubstituted at the N atom by 1-6C alkyl and NR 5 R 6 wherein each of R 5 and R 6 is selected from H and 1-6C alkyl or R 5 and R 6 together with the N atom form a morpholino or piperazino group, or and enantiomer thereof, with the proviso that R is not a 3-oxododecanoyl group, having immuosuppressant properties are disclosed. The compounds are shown to have an inhibitory effect on lymphocyte proliferation and down-regulate TNF-&agr; secretion by monocytes/macrophages in the animal body, including the human body. Pharmaceutical composition comprising N-acyl homoserine lactones are also described. 1

  公开了式(I)的新的N-酰基高丝氨酸内酯化合物，其中R是式(II)的酰基，其中R1和R2中的一个为H，另一个选择自OR4、SR4和NHR4，其中R4为H或1-6C烷基，或者R1和R2与它们结合的碳原子一起形成酮基，而R3含有8至11个碳原子，并且可以被一个或多个取代基选自卤素、1-6C烷氧基、羧基、1-6C烷氧羰基、在N原子上可能被1-6C烷基单独或二取代的氨基和NR5R6，其中R5和R6中的每一个选择自H和1-6C烷基或R5和R6与N原子一起形成吗啡环或哌嗪环，或其对映体，但R不是3-氧代十二酰基基团。这些化合物具有免疫抑制特性，已经表明这些化合物对淋巴细胞增殖具有抑制作用，并且在动物体内，包括人体内，下调单核细胞/巨噬细胞的TNF-α分泌。还描述了包含N-酰基高丝氨酸内酯的制药组合物。
• [EN] COMPLEXES OF METAL SALTS OF ORGANIC ACIDS AND BETA-DIKETONES AND METHODS FOR PRODUCING SAME<br/>[FR] COMPLEXES DE SELS METALLIQUES D'ACIDES ORGANIQUES ET DE BETA-DICETONES ET METHODES DE PRODUCTION
  申请人：CROMPTON CORP

  公开号：WO2004005232A1

  公开（公告）日：2004-01-15

  Metal salts of organic acids complexed with β-diketone compounds are multifunctional complexes useful in the formulation of stabilizers for halogenated resins. These complexes may be used jointly with other low toxicity intermediates, such as zinc or magnesium intermediates, to form effective stabilizers that are non-toxic and exhibit better performance than other known stabilizers, including those containing toxic heavy metals such as cadmium or lead. The complex is prepared utilizing a Claisen condensation reaction and precipitation with water and heptane.

  有机酸金属盐与β-二酮化合物形成的复合多功能配合物可用于制备卤代树脂的稳定剂。这些配合物可以与其他低毒性中间体（如锌或镁中间体）联合使用，形成有效的稳定剂，这些稳定剂是无毒的，并且比其他已知的稳定剂表现更好，包括含有有毒重金属如镉或铅的稳定剂。该复合物是通过Claisen缩合反应和水和庚烷的沉淀制备而成。
• Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing
  申请人：BLACKWELL Helen E.

  公开号：US20110046195A1

  公开（公告）日：2011-02-24

  Compounds which modulate quorum sensing in quorum sensing bacteria. Compounds of the invention inhibit quorum sensing and/or activate quorum sensing in various bacteria. Compounds that inhibit quorum sensing are particularly useful for inhibition of detrimental bacterial biofilm formation. Compounds that activate quorum sensing are particularly useful for promoting growth and biofilm formation of beneficial bacterial.

  在感应细菌中调节群体感应的化合物。本发明的化合物可以抑制群体感应和/或激活各种细菌的群体感应。抑制群体感应的化合物特别适用于抑制有害细菌生物膜的形成。激活群体感应的化合物特别适用于促进有益细菌的生长和生物膜形成。
• Synergistic compositions of n-acylhomoserine lactones and 4-quinolones
  申请人：——

  公开号：US20040198978A1

  公开（公告）日：2004-10-07

  A composition having immunosuppressant activity comprises at least one compound of the formula (I) in which R is an acyl group of the formula (II) wherein one of R 1 and R 2 is H and the other is selected from OR 4 , SR 4 and NHR 4 , wherein R 4 is H or 1-6C alkyl, or R 1 and R 2 together with the carbon atom to which they are joined form a keto group, and R 3 is a straight or branched chain, saturated or unsaturated aliphatic hydrocarbyl group containing from 8 to 11 carbon atoms and is optionally substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR 5 R 6 wherein each of R 5 and R 6 is selected from H and 1-6C alkyl or R 5 and R 6 together with the N atom form a morpholino or piperazino group, or any enantiomer thereof; and at least one compound of the formula (III): wherein R 7 is a straight or branched chain, saturated or ethylenically-unsaturated aliphatic hydrocarbyl group containing from 1 to 18 carbon atoms which may optionally be substituted by one or more substituent groups selected from halo, 1-6C alkoxy, carboxy, 1-6C alkoxycarbonyl and NR 12 R 13 , wherein each of R 12 and R 13 is independently selected from H and 1-6C alkyl or R 12 and R 13 together with the N atom to which they are attached form a saturated heterocyclic group selected from piperidino, piperazino and morpholino; R 8 is a group selected from H, —OH, halo, —CHO, —CO 2 H and CONHR 14 wherein R 14 is H or a 1-6C alkyl; each of R 9 , R 10 and R 11 is independently selected from H, —CH 3 , —OCH 3 and halo; or a non-toxic pharmaceutically-acceptable salt thereof. The determined immunosuppressant activity of the composition is greater than the sum of the activities of the individual components of the composition when determined separately. 1

  具有免疫抑制活性的组合物包括公式（I）中至少一种化合物，其中R是公式（II）的酰基，其中R1和R2中的一个是H，另一个选自OR4，SR4和NHR4，其中R4是H或1-6C烷基，或者R1和R2与它们连接的碳原子形成酮基，R3是含有8至11个碳原子的直链或支链、饱和或不饱和的脂肪族羟基烷基，可选地被一个或多个取代基选自卤素，1-6C烷氧基，羧基，1-6C烷氧羰基和NR5R6取代，其中每个R5和R6选自H和1-6C烷基或R5和R6与N原子形成吗啉或哌嗪基团，或其任何对映体；以及公式（III）中的至少一种化合物：其中R7是含有1至18个碳原子的直链或支链、饱和或乙烯不饱和的脂肪族羟基烷基，可以选择地被一个或多个取代基选自卤素，1-6C烷氧基，羧基，1-6C烷氧羰基和NR12R13取代，其中每个R12和R13独立地选自H和1-6C烷基或R12和R13与它们附着的N原子形成选自哌啶基，哌嗪基和吗啉的饱和杂环基；R8是选自H，—OH，卤素，—CHO，—CO2H和CONHR14的基团，其中R14是H或1-6C烷基；每个R9、R10和R11独立地选自H、—CH3、—OCH3和卤素；或其非毒性药物可接受盐。当单独测定时，组合物的确定免疫抑制活性大于组合物各个组分的活性之和。
• FEED CONTAINING CRUDE DRUG
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0761103A1

  公开（公告）日：1997-03-12

  A mixed feed or a feed additive, which comprises Cucurbita Seed, Plantago and Lornicera. Other crude drugs such as Safflower, Licorice, Mabiacao, Pugongying, Houttuynia and Juhua may be compounded in addition to the above crude drugs. For breeding cattle, swine, fowl, Hamachi, and the like, the above-described mixed feed, or the feed additive compounded with the marketed feed may be used. The resistance to diseases of the fed animals is improved, healthy candicidin can be maintained during the breeding, and the meat quality, egg quality, or the like is improved.

  由葫芦籽、车前子和龙葵组成的混合饲料或饲料添加剂。 除上述粗药外，还可复配其他粗药，如红花、甘草、马鞭草、蒲公英、鱼腥草和菊花等。 饲养牛、猪、鸡、滨鸡等，可使用上述混合饲料，或与市售饲料复配的饲料添加剂。 喂养动物的抗病能力得到提高，在养殖过程中可以保持健康的坎迪辛，肉质、蛋质等也得到改善。