1,2,6-trimethyl-4-piperidone | 41248-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,2,6-trimethyl-4-piperidone
• 英文别名: 1,2,6-Trimethyl-4-piperidon；1,2,6-Trimethyl-piperidin-4-on；2,6-Dimethyl-4-ketopiperidin；1,2,6-Trimethylpiperidon-4；1,2,6-trimethyl-piperidin-4-one；1,2,6-Trimethyl-piperidone-4；1,2,6-trimethylpiperidin-4-one
• CAS: 41248-68-4
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: YHUNCTAOWLYFHG-UHFFFAOYSA-N

物化性质

• 沸点：
  95-106 °C(Press: 16 Torr)
• 密度：
  0.917±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2,6-trimethyl-4-piperidone 在 哌啶 、 盐酸羟胺 、 sodium 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 (2α,4β,6β)-4-amino-1,2,6-trimethyl-piperidine
  参考文献：
  名称：

  Structural analysis of 5-HT3 receptor antagonists: synthesis and pharmacological activity of various aromatic esters or amides derived from tropane and 1,2,6-trisubstituted piperidine

  摘要：

  Preliminary results of a structure-activity relationship in the field of 5-HT3 receptor antagonists on the influence of the aromatic ring and steric hindrance around the basic nitrogen atom are reported. The favorable role of the naphthalene moiety substituted by a carbonyl function in position 1 was demonstrated by measuring the biological activity using the inhibition of the specific binding of [H-3]BRL 43694 and the inhibition of the Bezold-Jarisch reflex. Several esters and amides of 1,2,6-trisubstituted piperidine derivatives with a suitable fit with the antagonist reference compounds were synthesized. The lack of biological activity of these compounds emphasizes the importance of steric hindrance for binding with the anionic receptor site. These data confirm the major role of the tropane and quinuclidine frameworks in the potency of a number of 5-HT3 antagonists.

  DOI：

  10.1016/0223-5234(93)90039-h
• 作为产物：
  描述：

  (E)-6-ethoxyhept-2-en-4-one 、 甲胺 以36%的产率得到
  参考文献：
  名称：

  MAKIN, S. M.;NAZAROVA, O. N.;KUNDRYUTSKOVA, L. A.;DYMSHAKOVA, G. M.;ARSHA+, ZH. ORGAN. XIMII, 27,(1991) N, S. 312-317

  摘要：

  DOI：

文献信息

• [EN] TAM KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES TAM
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2019014513A1

  公开（公告）日：2019-01-17

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions, and medicaments comprising such compounds, and methods of using such compounds to treat diseases, such as cancer.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及利用这种化合物治疗疾病（如癌症）的方法。
• Neue basisch substituierte Hydrazin-Derivate
  作者：A. Ebnöther、E. Jucker、A. Lindenmann、E. Rissi、R. Steiner、R. Süess、A. Vogel

  DOI：10.1002/hlca.19590420224

  日期：——

  In der vorliegenden Arbeit werden eine neuartige Gruppe basisch substituierter Hydrazine sowie verschiedene zur Synthese dieser Verbindungen ausgearbeitete Wege beschrieben. Diese Hydrazin-Derivate zeichnen sich zum Teil durch eigene physiologische Eigenschaften aus, anderseits werden sie für die Synthese von physiolologisch wirksamen Heterocyclen verwendet.

  在本工作中，描述了一组新的碱性取代的肼以及合成这些化合物的不同途径。这些肼衍生物中的一些以其自身的生理特性而区别；另一方面，它们用于合成生理活性杂环。
• SUBSTITUTED HYDROGENATED THIENO-PYRROLO[3,2-C]PYRIDINE, LIGANDS, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR USING THE ABOVE
  申请人：Ivachtchenko Alexandre Vasilievich

  公开号：US20130267551A1

  公开（公告）日：2013-10-10

  The present invention relates to novel substituted tetrahydro-4H-thieno-pyrrolo[3,2-c]pyridines of the general formula 1, geometrical isomers, mixtures of geometrical isomers, and pharmaceutically acceptable salts thereof, wherein Th represents annelated thienic cycle; W represents ordinary bond (in this case R3 is bound directly to N-atom of pyrrole cycle), methylene, 1,2-ethylene, 1,2-vinyl, 1,2-ethynylene, 1,3-propanediyl or 1,3-propenylene, optionally substituted with hydroxy group; R1 and R2 represent hydrogen, C 1 -C 4 alkyl, halogen or —CH 2 OH; R3 represents hydrogen, optionally substituted phenyl, optionally substituted azaheteroaryl; R4 represents C 1 -C 4 alkyl, CO 2 C 2 H 5 or CO 2 C(CH 3 ) 3 ; R5, R6, R7 independently of each other represent hydrogen or C 1 -C 4 alkyl, or R5 and R6 form together ethylene bridge, and R7 represents hydrogen, or R5 and R7 form together ethylene bridge, and R6 represents hydrogen. And also to synthesis of novel chemical compounds, novel physiologically active compounds, “molecular tools”, to pharmaceutical composition, methods for preparation thereof and to method of treatment and prophylaxis of various diseases including diseases of central nervous system (CNS).

  本发明涉及一种新型的取代四氢-4H-噻吩-吡咯并[3,2-c]吡啶的化合物，其通用式为1，包括几何异构体、几何异构体混合物和其药学上可接受的盐，其中Th代表附环的噻吩环；W代表普通键（在这种情况下，R3直接与吡咯环的N原子结合），亚甲基，1,2-乙烯基，1,2-乙烯基，1,2-乙炔基，1,3-丙二基或1,3-丙烯基，可选地取代羟基；R1和R2代表氢，C1-C4烷基，卤素或-CH2OH；R3代表氢，可选地取代苯基，可选地取代氮杂杂环；R4代表C1-C4烷基，CO2C2H5或CO2C(CH3)3；R5，R6，R7独立地代表氢或C1-C4烷基，或R5和R6共同形成乙烯桥，R7代表氢，或R5和R7共同形成乙烯桥，R6代表氢。此外，还涉及新化合物的合成，新的生理活性化合物，“分子工具”，制药组合物，其制备方法以及用于治疗和预防各种疾病包括中枢神经系统（CNS）疾病的方法。
• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249680A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I化合物：其中Z、X、J、R2和W如规范中所述，以及其溶剂化物、水合物、互变异构体和药学上可接受的盐，其抑制蛋白酪氨酸激酶，特别是c-fms激酶。本发明还提供了使用式I化合物治疗自身免疫性疾病和具有炎症成分的疾病；治疗卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移；以及治疗疼痛，包括肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症和神经源性疼痛；以及骨质疏松症、帕吉特病和其他骨吸收介导的疾病，包括类风湿性关节炎和其他形式的炎症性关节炎、骨关节炎、假体失效、骨溶性肉瘤、骨髓瘤和肿瘤转移至骨骼。
• MAKIN, S. M.;NAZAROVA, O. N.;KUNDRYUTSKOVA, L. A.;DYMSHAKOVA, G. M.;ARSHA+, ZH. ORGAN. XIMII, 27,(1991) N, S. 312-317
  作者：MAKIN, S. M.、NAZAROVA, O. N.、KUNDRYUTSKOVA, L. A.、DYMSHAKOVA, G. M.、ARSHA+

  DOI：——

  日期：——