ethyl 4,6-dioxo-5-methylheptanoate | 17266-65-8

• 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
• 英文名称: ethyl 4,6-dioxo-5-methylheptanoate
• 英文别名: ethyl 5-methyl-4,6-dioxoheptanoate；Ethyl 5-acetyl-4-oxohexanoate
• CAS: 17266-65-8
• 化学式: C₁₀H₁₆O₄
• 分子量: 200.235
• InChiKey: MLUBCFKZELZSHV-UHFFFAOYSA-N

物化性质

• 沸点：
  287.9±15.0 °C(Predicted)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4,6-dioxo-5-methylheptanoate 在 sodium hydroxide 、 水 、 sodium acetate 、 溶剂黄146 、 三氯氧磷 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 9.12h， 生成 抗癌医药中间体
  参考文献：
  名称：

  Formulations for pharmaceutical agents ionizable as free acids or free bases

  摘要：

  本发明涉及吲哚酮的配方，这些化合物作为游离酸或游离碱是可离子化的。该配方适用于静脉或口服给药，其中配方包括可离子化的取代吲哚酮和其药用可接受载体。术语“可离子化的取代吲哚酮”包括吡咯取代的2-吲哚酮，除了在化合物的吡咯和2-吲哚酮部分上可选择地被取代外，必须在吡咯基上用一个或多个烃链取代，这些烃链本身被至少一个极性基团取代。如本文所述，这些配方和化合物本身对于治疗蛋白激酶相关疾病是有用的。

  公开号：

  US06878733B1
• 作为产物：
  描述：

  丁二酸单乙酯 在 氯化亚砜 作用下， 反应 3.0h， 生成 ethyl 4,6-dioxo-5-methylheptanoate
  参考文献：
  名称：

  A New Class of Linear Tetrapyrroles:  Acetylenic 10,10a-Didehydro-10a-homobilirubins

  摘要：

  Novel bilirubin analogues with dipyrrinones conjoined to an acetylene rather than a methylene group were synthesized and examined spectroscopically. Despite the increased separation of the dipyrrinones forced by replacing a -CH2- by a -Cequivalent toC- unit, molecular dynamics calculations show that, like bilirubin, they may still engage in intramolecular hydrogen bonding to carboxylic acid groups when the propionic acid chains are slightly lengthened, e.g., butanoic acids. Unlike bilirubin, however, which is bent in the middle and has a ridge-tile shape, the acetylene orients the attached dipyrrinones along a linear path, and intramolecular hydrogen bonding preserves a twisted linear molecular shape. The extended planes of the dipyrrinones intersect along the -Cequivalent toC- axis at an angle of 136degrees for the conformation stabilized by intramolecular hydrogen bonding in the bis-butyric acid rubin (1b). With shorter acid chains (propionic), only one CO2H can engage an opposing dipyrrinone in intramolecular hydrogen bonding, and in this energy-minimum conformation of the linear pigment la, the intersection of the extended planes of the dipyrrinones has an angle of 171degrees. Spectroscopic evidence for such linearized and twisted structures was found in the pigments' NMR spectral data and their exciton UV-vis and induced circular dichroism spectra.

  DOI：

  10.1021/jo030252t

文献信息

• Pyrrole substituted 2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06395734B1

  公开（公告）日：2002-05-28

  The present invention relates to novel pyrrole substituted 2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的吡咯替代的2-吲哚酮化合物及其生理上可接受的盐和前药，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis
  申请人：Tang Peng Cho

  公开号：US06846839B1

  公开（公告）日：2005-01-25

  The present invention relates to methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis. More specifically, this invention relates to methods for treating diseases and disorders, such as rheumatoid arthritis, endometriosis, ocular neovascularization, solid tumor growth and metastases, and excessive scarring during wound healing, with indolinone compounds.

  本发明涉及治疗与未受调控的血管生成和/或血管发生相关的疾病和紊乱的方法。更具体地，本发明涉及使用吲哚酮类化合物治疗疾病和紊乱的方法，例如类风湿关节炎、子宫内膜异位症、眼部新生血管生成、实体肿瘤生长和转移，以及伤口愈合过程中的过度瘢痕。
• Total synthesis of symmetric bile pigments: Mesobilirubin-IVα, mesobilirubin-XIIIα and etiobilirubin-IVγ
  作者：Francesc R. Trull、Roger W. Franklin、David A. Lightner

  DOI：10.1002/jhet.5570240614

  日期：1987.11

  The unnatural bile pigments mesobilirubin-IVα, mesobilirubin-XIIIα and etiobilirubin-IVγ were synthesized following self-coupling of the pyrromethenones ψ-xanthobilirubic acid methyl ester, xanthobilirubic acid methyl ester and kryptopyrromethenone, respectively.

  吡咯烷酮ψ-黄胆红酸甲酯，黄胆红酸甲酯和k吡咯烷酮分别自偶联后，合成了非天然胆汁色素中胆红素-IVα，中胆红素-XIIIα和乙胆红素-IVγ。
• Synthetic and biosynthetic studies of porphyrins. Part 8. Syntheses of hepta-, hexa-, and penta-carboxylic porphyrins related to uroporphyrin-I
  作者：Anthony H. Jackson、Damrus Supphayen

  DOI：10.1039/p19870000277

  日期：——

  The title porphyrins, of interest as abnormal metabolites in porphyrin biosynthesis, have been synthesized by the Fischer, and b-oxobilane routes, and compared with the naturally derived materials. Enzymic experiments have shown that the conversion of uroporphyrinogen-I into coproporphyrinogen-I both in vivo and in vitro is non-specific and occurs by both possible pathways via the two intermediate

  标题卟啉，作为卟啉生物合成中的异常代谢产物，已经通过费歇尔和b-氧杂环丁烷路线合成，并与天然物质进行了比较。酶学实验表明，尿卟啉原-I在体内和体外的转化都是非特异性的，并且通过两种中间的六羧酸卟啉原通过两种可能的途径发生。
• [EN] PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE 2-INDOLINONE A SUBSTITUTION PYRROLE
  申请人：SUGEN, INC.

  公开号：WO1999061422A1

  公开（公告）日：1999-12-02

  (EN) The present invention relates to novel pyrrole substituted 2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.(FR) La présente invention concerne de nouveaux composés 2-indolinone à substitution pyrrole, ainsi que les sels physiologiquement acceptables et les promédicaments de ceux-ci. Ces nouveaux composés, destinés à moduler l'activité de la protéine kinase, sont donc utiles pour prévenir et traiter les dysfonctionnements cellulaires liés à la protéine kinase, par exemple le cancer.

  (中文) 本发明涉及新型吡咯取代的2-吲哚酮化合物及其生理上可接受的盐和前药，这些化合物可以调节蛋白激酶的活性，因此预计在预防和治疗与蛋白激酶相关的细胞疾病，如癌症方面有用。