新烟草碱结构式
|
常用名 | 新烟草碱 | 英文名 | Anatabine |
|---|---|---|---|---|
| CAS号 | 581-49-7 | 分子量 | 160.22 | |
| 密度 | 1.045g/cm3 | 沸点 | 269ºC at 760mmHg | |
| 分子式 | C10H12N2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 116.5ºC |
新烟草碱用途(S)-(-)-Anatabine 是一种Ti质粒突变体。(S)-(-)-Anatabine 具有诱导烟草芽生畸胎瘤转化烟碱生物碱的活性。(S)-(-)-Anatabine 可用于胚轴畸胎瘤生物转化的研究。 |
| 中文名 | 新烟草碱 |
|---|---|
| 英文名 | 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine |
| 英文别名 | 更多 |
| 描述 | (S)-(-)-Anatabine 是一种Ti质粒突变体。(S)-(-)-Anatabine 具有诱导烟草芽生畸胎瘤转化烟碱生物碱的活性。(S)-(-)-Anatabine 可用于胚轴畸胎瘤生物转化的研究。 |
|---|---|
| 相关类别 | |
| 参考文献 |
| 密度 | 1.045g/cm3 |
|---|---|
| 沸点 | 269ºC at 760mmHg |
| 分子式 | C10H12N2 |
| 分子量 | 160.22 |
| 闪点 | 116.5ºC |
| 精确质量 | 160.10000 |
| PSA | 24.92000 |
| LogP | 2.00100 |
| InChIKey | SOPPBXUYQGUQHE-JTQLQIEISA-N |
| SMILES | C1=CCC(c2cccnc2)NC1 |
| 外观性状 | 油状物体 |
| 折射率 | 1.546 |
| 储存条件 | 2-8℃ |
|
~70%
新烟草碱 581-49-7 |
| 文献:Felpin; Vo-Thanh; Robins; Villieras; Lebreton Synlett, 2000 , # 11 p. 1646 - 1648 |
|
~25%
新烟草碱 581-49-7 |
| 文献:Leete; Mueller Journal of the American Chemical Society, 1982 , vol. 104, # 23 p. 6440 - 6444 |
|
~%
新烟草碱 581-49-7 |
| 文献:Rock Creek Pharmaceuticals, Inc. Patent: US2012/3341 A1, 2012 ; |
|
~%
新烟草碱 581-49-7 |
| 文献:Spaeth; Kesztler Chemische Berichte, 1937 , vol. 70, p. 704,707 |
|
~%
详细
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| 文献:Boswell, Henry D.; Draeger, Birgit; Eagles, John; McClintock, Carol; Parr, Adrian; Portsteffen, Andreas; Robins, David J.; Robins, Richard J.; Walton, Nicholas J.; Wong, Chi Phytochemistry, 1999 , vol. 52, # 5 p. 855 - 869 |
|
~%
详细
|
| 文献:Boswell, Henry D.; Draeger, Birgit; Eagles, John; McClintock, Carol; Parr, Adrian; Portsteffen, Andreas; Robins, David J.; Robins, Richard J.; Walton, Nicholas J.; Wong, Chi Phytochemistry, 1999 , vol. 52, # 5 p. 855 - 869 |
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实验名称:Inhibition Assay from US Patent US8609708: "Synthetic compounds and derivatives as mo...
来源:BindingDB
靶标:N/A
External Id:BindingDB_6119_1
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实验名称:Agonist activity at human brain alpha4beta2 nAChR expressed in Xenopus laevis oocytes...
来源:ChEMBL
靶标:Neuronal acetylcholine receptor subunit alpha-4
External Id:CHEMBL4676856
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实验名称:Agonist activity at human brain alpha7 nAChR expressed in Xenopus laevis oocytes asse...
来源:ChEMBL
靶标:Neuronal acetylcholine receptor subunit alpha-7
External Id:CHEMBL4676858
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实验名称:Inhibition of human CYP2A6 expressed in insect cell microsomes assessed as reduction ...
来源:ChEMBL
靶标:Cytochrome P450 2A6
External Id:CHEMBL4422401
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实验名称:Selectivity index, ratio of IC50 for inhibition of human CYP3A4 assessed as reduction...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4422402
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实验名称:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in enzyme-mediat...
来源:ChEMBL
靶标:Cytochrome P450 3A4
External Id:CHEMBL4422403
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| 1,2,3,6-Tetrahydro-2,3'-bipyridine |
| ANATABINE |