[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 1-[4-[[1-[4-[4-[[4-[1-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]methyl]triazol-1-yl]butyl]triazol-4-yl]methoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate | 1360453-37-7

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺

中文名称

——

中文别名

——

英文名称

[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 1-[4-[[1-[4-[4-[[4-[1-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]methyl]triazol-1-yl]butyl]triazol-4-yl]methoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate

英文别名

——

[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 1-[4-[[1-[4-[4-[[4-[1-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]methyl]triazol-1-yl]butyl]triazol-4-yl]methoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate化学式

CAS

1360453-37-7

化学式

C₁₃₂H₁₈₈N₁₀O₃₈

mdl

——

分子量

2522.99

InChiKey

QUQDXVSVIPVDIM-CXUFWMAWSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

16.3
重原子数：

180
可旋转键数：

35
环数：

12.0
sp3杂化的碳原子比例：

0.67
拓扑面积：

611
氢给体数：

4
氢受体数：

42

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
雷帕霉素	sirolimus	53123-88-9	C₅₁H₇₉NO₁₃	914.187

反应信息

作为反应物：

描述：

[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 1-[4-[[1-[4-[4-[[4-[1-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]methyl]triazol-1-yl]butyl]triazol-4-yl]methoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate 生成雷帕霉素

参考文献：

名称：

[EN] LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION
[FR] RÉGULATION MÉDIÉE PAR LA LUMIÈRE DE LA DIMÉRISATION DE PROTÉINE

摘要：

公开号：

WO2012024558A3
作为产物：

描述：

、 1,4-二叠氮基丁烷在 copper(II) sulfate 、 sodium ascorbate 、三[(1-苄基-1H-1,2,3-三唑-4-基)甲基]胺作用下，以81%的产率得到[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 1-[4-[[1-[4-[4-[[4-[1-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxycarbonyloxyethyl]-2-methoxy-5-nitrophenoxy]methyl]triazol-1-yl]butyl]triazol-4-yl]methoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate

参考文献：

名称：

[EN] LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION
[FR] RÉGULATION MÉDIÉE PAR LA LUMIÈRE DE LA DIMÉRISATION DE PROTÉINE

摘要：

公开号：

WO2012024558A3

点击查看最新优质反应信息

文献信息

[EN] LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION<br/>[FR] RÉGULATION MÉDIÉE PAR LA LUMIÈRE DE LA DIMÉRISATION DE PROTÉINE

申请人：UNIV NORTH CAROLINA

公开号：WO2012024558A3

公开（公告）日：2012-07-05

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