(1-羧基-4-羟-2,5-环己二烯基)代丙酮酸 | 126-49-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: (1-羧基-4-羟-2,5-环己二烯基)代丙酮酸
• 中文别名: 预苯酸；4-羟基-1-(3-羟基-2,3-二氧代丙基)环己-2,5-二烯-1-羧酸
• 英文名称: Prephensaeure
• 英文别名: Prephenic acid；1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
• CAS: 126-49-8
• 化学式: C₁₀H₁₀O₆
• 分子量: 226.186
• InChiKey: FPWMCUPFBRFMLH-UHFFFAOYSA-N

物化性质

• 沸点：
  482.6±45.0 °C(Predicted)
• 密度：
  1.543±0.06 g/cm3(Predicted)
• 碰撞截面：
  155 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2918990090

反应信息

• 作为产物：
  描述：

  分支酸 生成 (1-羧基-4-羟-2,5-环己二烯基)代丙酮酸
  参考文献：
  名称：

  TOROMANOFF, EDMOND, C. R. ACAD. SCI., 306,(1988) N 7, 479-482

  摘要：

  DOI：

文献信息

• CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS
  申请人：Bapat Abhijit S.

  公开号：US20140364595A1

  公开（公告）日：2014-12-11

  The invention provides conjugate-based antifungal or antibacterial prodrugs formed by coupling at least one anti-fungal agent or antibacterial agent with at least one linker and/or carrier. The prodrugs are of formula: (i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; or (iv) (AFA) m″ -X, wherein: AFA is an antifungal agent or an antibacterial agent; L is a carrier; X is a linker; m ranges from 1 to 10; n ranges from 2 to 10; m′ is 1 to 10; p is 1 to 10; n′ is 1 to 10; and q is 1 to 10, provided that q′ and n are not both 1; and m″ is 1 to 10. The invention also provides nanoparticles comprising the conjugate-based prodrugs. Additionally, the invention also provides non-conjugated antifungal and antibacterial agents in the form of nanoparticles.

  该发明提供了由至少一种抗真菌剂或抗菌剂与至少一种连接剂和/或载体偶联形成的基于共轭的抗真菌或抗菌前药。这些前药的公式为：(i) (AFA) m -X-(L) n ; (ii) [(AFA) m′ -X] p -L; (iii) AFA-[X-(L) n′ ] q ; 或 (iv) (AFA) m″ -X，其中：AFA是抗真菌剂或抗菌剂；L是载体；X是连接剂；m范围从1到10；n范围从2到10；m′为1到10；p为1到10；n′为1到10；q为1到10，前提是q'和n不同时为1；m″为1到10。该发明还提供了包含基于共轭的前药的纳米粒子。此外，该发明还提供了以纳米粒子形式的非共轭抗真菌和抗菌剂。
• Methods and compositions for the modulation of chorismate synthase and chorismate mutase expression or activity in plants
  申请人：——

  公开号：US20030077687A1

  公开（公告）日：2003-04-24

  The present inventors have discovered that chorismate mutase and chorismate synthase are essential for plant growth. Specifically, the inhibition of chorismate mutase or chorismate synthase gene expression in plant seedlings results in severe chlorosis, reduced growth and developmental abnormalities. Thus, in one aspect the invention provides compositions for the modulation of plant growth or development comprising chorismate synthase and chorismate mutase antisense and sense polynucleotides, dsRNA and ribozymes, and related expression cassettes and vectors. The compositions of the invention are particularly useful for the modulation and inhibition of plant growth. The invention further provides plants, plant cells, and seeds containing the polynucleotides of the invention. The inventors have proven that chorismate synthase and chorismate mutase can be used as targets for the identification of herbicides. Thus, the invention provides methods for the identification of chemicals that modulate chorismate synthase and chorismate mutase biochemical reactions. The methods of the invention are useful for the identification of herbicides and for the inhibition of plant growth and development. In addition, the methods of the invention are useful for the identification of compounds that stimulate the expression or function of chorismate synthase or chorismate mutase expression or function. Such compounds can be used to promote plant growth and development.

  本发明人发现，脆氨酸变异酶和脆氨酸合成酶对植物生长至关重要。具体而言，在植物幼苗中抑制脆氨酸变异酶或脆氨酸合成酶基因表达会导致严重的叶绿素减退、生长减缓和发育异常。因此，本发明在一方面提供了用于调节植物生长或发育的组合物，包括脆氨酸合成酶和脆氨酸变异酶反义和同义多核苷酸、dsRNA和核酶，以及相关的表达盒和载体。本发明的组合物特别适用于调节和抑制植物生长。本发明还提供了包含本发明多核苷酸的植物、植物细胞和种子。 本发明人证明了脆氨酸合成酶和脆氨酸变异酶可用作除草剂的靶点。因此，本发明提供了用于识别调节脆氨酸合成酶和脆氨酸变异酶生化反应的化学物质的方法。本发明的方法对于识别除草剂以及抑制植物生长和发育非常有用。此外，本发明的方法对于识别刺激脆氨酸合成酶或脆氨酸变异酶表达或功能的化合物也非常有用。这样的化合物可用于促进植物生长和发育。
• Multifunction "Crown Complexes" from Amino Acids and Peptides for Skin and Hair Restoration
  申请人：Gupta K Shyam

  公开号：US20070099886A1

  公开（公告）日：2007-05-03

  This invention relates to Schiff's bases derived from amino acids and hydroxyaryl alkyl ketones, or a plant extract containing the same, having general chemical structure in FIG. 1 for topical application. This invention also relates to certain metal complex of said Schiff's bases, which have a crown-like appearance in their three-dimensional chemical structure, as in FIG. 2 . The Schiff's bases and their metal complexes of the present invention are useful for the modulation of metal-activated enzymes and metalloenzymes, such as Phenylalanine Hydroxylase, Tyrosine Transaminase, Phenylalanine Transaminase, Tyrosinase, various MMP (Matrix metalloproteases), Superoxide dismutase, 5-Alpha Reductase, and citrate lyase. These are further suitable for multifunctional topical methods for skin whitening, skin wrinkles reduction, skin antiaging, collagen synthesis, acne control, hair loss prevention, hair graying control, and facial oil control.

  本发明涉及从氨基酸和羟基芳基烷基酮衍生的席夫碱，或含有该类化合物的植物提取物，其具有图1中的一般化学结构，用于局部应用。本发明还涉及所述席夫碱的某些金属配合物，其在三维化学结构中呈冠状外观，如图2所示。本发明的席夫碱及其金属配合物对于调节金属活化酶和金属酶，例如苯丙氨酸羟化酶、酪氨酸转氨酶、苯丙氨酸转氨酶、酪氨酸酶、各种基质金属蛋白酶、超氧化物歧化酶、5α-还原酶和柠檬酸裂解酶具有用途。此外，它们还适用于多功能局部方法，如美白肌肤、减少皮肤皱纹、抗衰老、胶原蛋白合成、控制痤疮、预防脱发、控制白发和面部油脂控制。
• Topical Delivery System for Antiaging and Skin Whitening Agents
  申请人：GUPTA SHYAM K.

  公开号：US20090074691A1

  公开（公告）日：2009-03-19

  This invention relates to certain hydroxyaryl alkanols, alkyl amines, alkyl amino acids, alkyl amino esters, and alkyl amino alkanols (“Hydroxyaryl compounds”) of formula (I). A method of topical application of said hydroxyaryl compounds is also disclosed. The treatment of certain enzyme dysfunctions that cause skin or hair condition such as darkened skin including age spots, dark circles around the eyes, and discoloration of skin from stretch marks; skin conditions related to acne including excess facial oil and facial pore size; premature hair aging including hair loss and graying; inflammation including intra-cellular and extra-cellular inflammation; skin aging including wrinkles and fine lines; loss of collagen including thinning skin and loss of skin pliability; malfunction of tyrosinase group of enzymes; and malfunction of matrix metalloprotease group of enzymes with said hydroxyaryl compounds is also disclosed:

  本发明涉及公式（I）的某些羟基芳基丙醇、烷基胺、烷基氨基酸、烷基氨基酯和烷基氨基丙醇（“羟基芳基化合物”）。还公开了一种使用上述羟基芳基化合物的局部应用方法。本发明还公开了使用上述羟基芳基化合物治疗某些酶功能障碍，这些酶功能障碍导致皮肤或头发状况的异常，例如黑化的皮肤，包括老年斑、眼周黑眼圈和妊娠纹引起的皮肤色素沉着；与痤疮相关的皮肤状况，包括过多的面部油脂和面部毛孔大小；过早的头发老化，包括脱发和白发；炎症，包括细胞内和细胞外炎症；皮肤衰老，包括皱纹和细纹；胶原蛋白流失，包括皮肤变薄和失去弹性；酪氨酸酶类酶的功能障碍；以及基质金属蛋白酶类酶的功能障碍。
• Skin and Hair Restoration by Natural Amino Acid and Peptide Crown Complexes
  申请人：GUPTA SHYAM K.

  公开号：US20080287536A1

  公开（公告）日：2008-11-20

  This invention relates to certain skin and hair care agents of formula (I), derived from natural amino acids and peptides. These agents provide multi-functional treatment of enzyme-related topical problems, for example, darkened skin including age spots, circles around eyes and stretch marks; skin conditions related to acne including excess facial oil and facial pore size; premature hair aging including hair loss and graying; inflammation including intra-cellular and extra-cellular inflammation; skin aging including wrinkles and fine lines; loss of collagen including thinning skin and loss of skin pliability; malfunction of tyrosinase group of enzymes; malfunction of matrix metalloprotease group of enzymes; and combinations thereof: Wherein, R, R′, and R″=any substituent(s); and M=H, Li, Na, K, Ca, Mg, Zn, Mn, Cu, Fe, Co, Mo, V, Cr, Ammonium, Alkyl ammonium, and Nitrogen Heterocyclic ammonium.

  本发明涉及一种公式（I）的天然氨基酸和肽衍生的某些皮肤和头发护理剂。这些剂提供了多功能的酶相关局部问题治疗，例如黑色皮肤，包括老年斑，眼周圆圈和妊娠纹; 与痤疮相关的皮肤状况，包括过多的面部油脂和面部毛孔大小; 早期头发老化，包括脱发和变白; 炎症，包括细胞内和细胞外炎症; 皮肤老化，包括皱纹和细纹; 胶原蛋白丢失，包括皮肤变薄和失去弹性; 酪氨酸酶类酶的功能障碍; 基质金属蛋白酶酶类的功能障碍; 以及它们的组合：其中，R，R'和R'' = 任何取代基; M = H，Li，Na，K，Ca，Mg，Zn，Mn，Cu，Fe，Co，Mo，V，Cr，铵，烷基铵和氮杂环铵。