CAS: 89848-49-7; 4-(4-(4-(4-(((4R)-2-((1H-1,2,4-Triazol-1-yl)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-4-yl)Methoxy)Phenyl)Piperazin-1-yl)Phenyl)-2-Isopropyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One

英文名称4-(4-(4-(4-(((4R)-2-((1H-1,2,4-Triazol-1-yl)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-4-yl)Methoxy)Phenyl)Piperazin-1-yl)Phenyl)-2-Isopropyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
中文名称异丙基伊曲康唑
IUPAC名称4-(4-(4-(4-(((4R)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
其它别名Isopropyl Analog; Itraconazole Ep Impurity D; Itraconazole Impurity D; Cis-4-[4-[4-[4-[[2-(2,4-Cis-4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]-1-Piperazinyl]Phenyl]-2,4-Dihydro-2-(1-Methylethyl)-3H-1,2,4-Triazol-3-One; 4-(4-(4-(4-(((2S,4R)-2-((1H-1,2,4-Triazol-1-Yl)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-4-Yl)Methoxy)Phenyl)Piperazin-1-Yl)Phenyl)-1-Isopropyl-1H-1,2,4-Triazol-5(4H)-O; Itraconazole Isopropyl Analog; Itraconazole Impurity 4(Itraconazole Ep Impurity D); Imp. D (Ep):4-[4-[4-[4-[[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]-Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-2-(1-Methylethyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
CAS编号89848-49-7
MFCD编号:MFCD27967068
EINECS号:641-971-6
FDA UNII编号:G401M43GWQ
分子式:C34H36Cl2N8O4分子量:691.62
产品CID: 1920298

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产品信息参考
InChIKey: YPJNBOZLRNFTJN-AMLLJQFGSA-N
InChI=1S/C34H36Cl2N8O4/c1-24(2)44-33(45)43(23-39-44)28-6-4-26(5-7-28)40-13-15-41(16-14-40)27-8-10-29(11-9-27)46-18-30-19-47-34(48-30,20-42-22-37-21-38-42)31-12-3-25(35)17
计算化学: 氢键受体数9.0氢键供体数*可旋转键数10.0

MSDS等安全信息

警示词warning
危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one cis-[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate 4-(4-methoxyphenyl)piperazine 4-chlorobenzonitrile

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2902600000-乙苯
2903919090-氯苯
2905122000-异丙醇
2905310000-1,2-乙二醇
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合成参考文献

参考文献:10.1021/jm200944b
摘要:Shi W, Nacev BA, Aftab BT, Head S, Rudin CM, Liu JO. Itraconazole side chain analogues: structure-activity relationship studies for inhibition of endothelial cell proliferation, vascular endothelial growth factor receptor 2 (VEGFR2) glycosylation, and hedgehog signaling. J Med Chem. 2011 Oct 27;54(20):7363–74.