(1ξ)-1-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-6-heptene-3,5-dione | 112494-43-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (1ξ)-1-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-6-heptene-3,5-dione
• 英文别名: 1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-(6E)-6-heptene-3,4-dione；(1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione；(E)-7-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione
• CAS: 112494-43-6
• 化学式: C₂₁H₂₂O₇
• 分子量: 386.401
• InChiKey: NKDVMZOMVJQUDC-ZZXKWVIFSA-N

物化性质

• 沸点：
  621.2±55.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1ξ)-1-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-6-heptene-3,5-dione 130.0 ℃ 、2.0 kPa 条件下， 反应 10.0h， 生成 姜黄素
  参考文献：
  名称：

  Uehara, Shin-ichi; Yasuda, Ichiro; Akiyama, Kazuyuki, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 8, p. 3298 - 3304

  摘要：

  DOI：

文献信息

• METHOD TO PREPARE PURE CURCUMIN
  申请人：Kim Darrick S.H.L.

  公开号：US20100048957A1

  公开（公告）日：2010-02-25

  This invention describes a preparation of at least 99% by weight pure curcumin from less pure grades of curcumin utilizing phenol protecting groups to favor a selective recrystallization of curcumin in the presence of demethoxycurcumin and bis-demethoxycurcumin and other curcuminoids of minor composition.

  这项发明描述了利用酚保护基从较不纯的姜黄素中制备至少99%重量纯度的姜黄素，利用酚保护基有利于在去甲氧基姜黄素、双去甲氧基姜黄素和其他少量成分的姜黄素存在下选择性地重新结晶姜黄素。
• Chemical compounds
  申请人：Ratcliffe James Andrew

  公开号：US20050009831A1

  公开（公告）日：2005-01-13

  The present invention concerns compounds of general formula (I): in which: R 1 represents hydrogen, R 4 , —C(═Y)—NHR 4 , —SO 2 NHR 4 , —C(=Z 1 )—R 4 , —SO 2 —R 4 or —C(=Z 1 )—OR 4 ; R 2 represents hydrogen, cyano, halogen or —C≡C—R 5 ; R 3 represents hydrogen, acyl, alkoxycarbonyl, alkyl, aroyl, aryl, aryloxycarbonyl, carboxy, cycloalkenyl, cycloalkyl, heteroaroyl, heteroaryl, heterocycloalkyl or —C(═O)—NY 1 Y 2 ; R 4 represents optionally substituted alkyl, cycloalkyl, cycloalkenyl, heterocycloalkyl, aryl or heteroaryl R 5 represents hydrogen or alkyl; R 6 represents alkyl, acyl, alkoxycarbonyl, alkylsulfonyl, aryl, arylsulfonyl, aroyl, cycloalkyl, cycloalkenyl, heteroaryl, heteroarylsulfonyl, heteroaroyl and heterocycloalkyl; R 7 represents optionally substituted alkyl, cycloalkyl or cycloalkylalkyl, R 8 represents hydrogen, alkyl, alkenyl, aryl, arylalkyl, heteroaryl or heteroarylalkyl; R 9 represents alkyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl or heterocycloalkylalkyl; R 10 represents hydrogen or lower alkyl; R 11 represents alkyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, heterocycloalkyl or heterocycloalkylalkyl; or alkyl optionally substituted by —NY 1 Y 2 ; R 12 represents aryl or heteroaryl; or alkyl, cycloalkyl, cycloalkylalkyl, heterocycloalkyl or heterocycloalkylalkyl each optionally substituted Y represents O, S or NCN; Y 1 and Y 2 (Y 3 and Y 4 ) are independently in particular hydrogen, alkyl, aryl, cycloalkyl, cycloalkenyl, heteroaryl or heterocycloalkyl; or the group —NY 1 Y 2 may form 5-7 membered ring or the group —NY 3 Y 4 (—NY 5 Y 6 ) may form a cyclic amine; Z (Z 1 ) represents O or S; Z 2 represents O or S(O) p ; n is zero or an integer 1 or 2; m is 1 or 2; p is 1 or 2; and their corresponding N-oxides, their prodrugs; their pharmaceutically acceptable salts and solvates (e.g. hydrates), also together with one or more pharmaceutically acceptable carriers or excipients, such novel indolizines derivatives with inhibitory effects towards kinase proteins and especially for use for preventing or treating diseases that may be modulated by the inhibition of such kinase proteins and particularly solid tumours.

  本发明涉及通式（I）的化合物： 其中： R1代表氢，R4，—C（═Y）—NHR4，—SO2NHR4，—C（=Z1）—R4，—SO2—R4或—C（=Z1）—OR4； R2代表氢，氰基，卤素或—C≡C—R5； R3代表氢，酰基，烷氧羰基，烷基，芳酰基，芳基，芳氧羰基，羧基，环烯基，环烷基，杂芳酰基，杂芳基，杂环烷基或—C（═O）—NY1Y2； R4代表可选取代的烷基，环烷基，环烯基，杂环烷基，芳基或杂芳基； R5代表氢或烷基； R6代表烷基，酰基，烷氧羰基，烷基磺酰基，芳基，芳基磺酰基，芳酰基，环烷基，环烯基，杂芳基，杂芳基磺酰基，杂芳酰基和杂环烷基； R7代表可选取代的烷基，环烷基或环烷基烷基； R8代表氢，烷基，烯基，芳基，芳基烷基，杂芳基或杂芳基烷基； R9代表烷基，芳基，芳基烷基，环烷基，环烷基烷基，杂芳基，杂芳基烷基，杂环烷基或杂环烷基烷基； R10代表氢或较低的烷基； R11代表烷基，芳基，芳基烷基，环烷基，环烷基烷基，杂芳基，杂芳基烷基，杂环烷基或杂环烷基烷基；或可选取代的烷基，被—NY1Y2取代； R12代表芳基或杂芳基；或可选取代的烷基，环烷基，环烷基烷基，杂环烷基或杂环烷基烷基； Y代表O，S或NCN； Y1和Y2（Y3和Y4）特别是独立的氢，烷基，芳基，环烷基，环烯基，杂芳基或杂环烷基；或该基团—NY1Y2可能形成5-7成员环或该基团—NY3Y4（—NY5Y6）可能形成一个环状胺； Z（Z1）代表O或S； Z2代表O或S（O）p； n为零或整数1或2； m为1或2； p为1或2； 以及它们对应的N-氧化物，它们的前药；它们的药物可接受的盐和溶剂化合物（例如水合物），还包括一个或多个药物可接受的载体或赋形剂，这种新的吲哚嗪衍生物具有对激酶蛋白的抑制作用，特别是用于预防或治疗可能通过抑制这种激酶蛋白而调节的疾病，特别是固体肿瘤。
• JNK INHIBITORS
  申请人：Nemecek Conception

  公开号：US20070238734A1

  公开（公告）日：2007-10-11

  The present invention concerns compounds of general formula (I): in which the substituents are as described herein.

  本发明涉及一般式（I）的化合物： 其中取代基如本文所述。
• Probiotic and polyphenol against neurodegeneration
  申请人：NESTEC S.A.

  公开号：US10912803B2

  公开（公告）日：2021-02-09

  A composition containing the probiotic strain Lactobacillus johnsonii CNCM 1-1225 in combination with a polyphenol for use in the treatment or prevention of a cognitive and/or neurodegenerative disorder, in particular Alzheimer's disease. The polyphenol can be one or more of rosmarinic acid, chicoric acid, or caftaric acid, and can be provided in the form of a plant extract.

  一种含有益生菌株约翰逊乳杆菌 CNCM 1-1225 和一种多酚的组合物，用于治疗或预防认知和/或神经退行性疾病，特别是阿尔茨海默氏症。多酚可以是迷迭香酸、菊苣酸或茶檀酸中的一种或多种，可以植物提取物的形式提供。
• Methods for treatment of beta-amyloid protein-induced ocular disease
  申请人：Kim S. H. L. Darrick

  公开号：US20060148905A1

  公开（公告）日：2006-07-06

  The invention provides methods for treating beta-amyloid protein-involved ocular disease including age-related macular degeneration and glaucoma, pharmaceutical compositions and compounds useful for the same, and the use of these compounds for the manufacture of a medicament for treating the same. More particularly, the invention relates to the use of natural product compounds isolated from Curcuma sp., Zingiber sp., Ginkgo biloba, Salvia sp., and Rosmarinus sp. and synthetic chemical analogues thereof, for the treatment of a beta-amyloid protein-involved ocular disease.

  本发明提供了治疗β-淀粉样蛋白参与的眼部疾病（包括老年性黄斑变性和青光眼）的方法、药物组合物和对其有用的化合物，以及使用这些化合物制造治疗上述疾病的药物。更具体地说，本发明涉及从以下植物中分离出的天然产物化合物的用途 莪术 sp、 薑 sp、 银杏叶、丹参 和 蔷薇 及其合成化学类似物，用于治疗受β-淀粉样蛋白影响的眼部疾病。