251956-16-8 ((rel-Febrifugine Dihydrochloride)

快速询单

结构式：

rel-Febrifugine DihydrochlorideMOL文件

CAS号：

251956-16-8

英文名称：

rel-Febrifugine Dihydrochloride

分子式：

C₁₆H₂₁Cl₂N₃O₃

分子量：

374.262242078781

rel-Febrifugine Dihydrochloride(251956-16-8)名称与标识符

名称

英文别名：

rel-Febrifugine Dihydrochloride;E88589;Q27282111;Febrifugine dihydrochloride [MI];1-((6-Hydrazinyl-3-pyridazinyl)methylamino)-2-propanol;251956-16-8;32434-42-7;MS-26041;Febrifugine dihydrochloride;HY-N2384A;3-(3-((2R,3S)-3-Hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone dihydrochloride;Febrifugine (hydrochloride);(+)-Febrifugine dihydrochloride;Febrifugine, dihydrochloride;3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;dihydrochloride;(+)-Febrifugine dihydrochloride, Atensil, Febrifugine dihydrochloride, ISF-2123, Pildralazine dihydrochloride, Propyldazine hydrochloride;4(3H)-Quinazolinone, 3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, hydrochloride (1:2);AKOS040760110;Febrifuginedihydrochloride;Febrifugine (dihydrochloride);K922TFG9SM;rac-Febrifugine Dihydrochloride;CS-0129346;2-Propanol, 1-((6-hydrazinyl-3-pyridazinyl)methylamino)-, hydrochloride (1:2);Propyldazine hydrochloride;UNII-K922TFG9SM;

标识符

InChIKey：

RDUHYEILHQUTIR-AMTWEWDESA-N

Inchi：

1S/C16H19N3O3.2ClH/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22;;/h1-2,4-5,10,14-15,17,21H,3,6-9H2;2*1H/t14-,15+;;/m1../s1

SMILES：

Cl.Cl.O[C@H]1CCCN[C@@H]1CC(CN1C=NC2C=CC=CC=2C1=O)=O

rel-Febrifugine Dihydrochloride(251956-16-8)物化性质

实验特性

熔点 : 200 - 202°C
溶解度 : DMSO (Slightly), Methanol (Slightly), Water (Slightly)

计算特性

精确分子量 : 373.0959969g/mol
氢键供体数量 : 4
氢键受体数量 : 5
可旋转化学键数量 : 4
同位素质量 : 373.0959969g/mol
重原子数量 : 24
复杂度 : 466
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 3
拓扑分子极性表面积 : 82Å²

rel-Febrifugine Dihydrochloride(251956-16-8)安全信息

储存条件： Hygroscopic, -20°C Freezer, Under Inert Atmosphere

rel-Febrifugine Dihydrochloride(251956-16-8)相关文献

1. Complementary chemoenzymatic routes to both enantiomers of febrifugine
Marloes A. Wijdeven,Rutger J. F. van den Berg,Roel Wijtmans,Peter N. M. Botman,Richard H. Blaauw,Hans E. Schoemaker,Floris L. van Delft,Floris P. J. T. Rutjes Org. Biomol. Chem. 2009 7 2976
2. A convergent strategy towards febrifugine and related compounds
T. M. M. Maiden,N. Mbelesi,P. A. Procopiou,S. Swanson,J. P. A. Harrity Org. Biomol. Chem. 2018 16 4159
3. Quinoline, quinazoline and acridone alkaloids
Joseph P. Michael Nat. Prod. Rep. 2002 19 742
4. Asymmetric synthesis of febrifugine and isofebrifugine using yeast reduction
Yasuo Takeuchi,Kumiko Azuma,Kentaro Takakura,Hitoshi Abe,Takashi Harayama using yeast reduction. Yasuo Takeuchi Kumiko Azuma Kentaro Takakura Hitoshi Abe Takashi Harayama Chem. Commun. 2000 1643
5. Quinoline, quinazoline and acridone alkaloids
Joseph P. Michael Nat. Prod. Rep. 2005 22 627
6. Natural products and their derivatives as tRNA synthetase inhibitors and antimicrobial agents
R. V. K. Cochrane,A. K. Norquay,J. C. Vederas Med. Chem. Commun. 2016 7 1535
7. Quinoline, quinazoline and acridone alkaloids
Joseph P. Michael Nat. Prod. Rep. 2001 18 543
8. Recent developments in research on terrestrial plants used for the treatment of malaria
Colin W. Wright Nat. Prod. Rep. 2010 27 961
9. Quinoline, quinazoline and acridone alkaloids
Joseph P. Michael Nat. Prod. Rep. 2000 17 603
10. Quinoline, quinazoline and acridone alkaloids
Joseph P. Michael Nat. Prod. Rep. 2004 21 650

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