(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]-N-[2-hydroxy-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-13,25,28-tribenzyl-4-[[2,4-di(docosoxy)phenyl]methoxycarbonyl]-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-19,34-bis[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]butyl]-31-(2-hydroxy-2-trityliminoethyl)-22-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-10,16-bis[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-[(2-methylpropan-2-yl)oxymethyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaen-37-yl]imino]ethyl]propanimidic acid | 1324007-69-3

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]-N-[2-hydroxy-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-13,25,28-tribenzyl-4-[[2,4-di(docosoxy)phenyl]methoxycarbonyl]-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-19,34-bis[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]butyl]-31-(2-hydroxy-2-trityliminoethyl)-22-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-10,16-bis[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-[(2-methylpropan-2-yl)oxymethyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaen-37-yl]imino]ethyl]propanimidic acid

英文别名

——

(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]-N-[2-hydroxy-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-13,25,28-tribenzyl-4-[[2,4-di(docosoxy)phenyl]methoxycarbonyl]-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-19,34-bis[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]butyl]-31-(2-hydroxy-2-trityliminoethyl)-22-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-10,16-bis[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-[(2-methylpropan-2-yl)oxymethyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaen-37-yl]imino]ethyl]propanimidic acid化学式

CAS

1324007-69-3

化学式

C₁₇₈H₂₆₈N₁₈O₂₉S₂

mdl

——

分子量

3188.32

InChiKey

KAFXFQJMWWCWBV-LUQWIRJJSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

43.5
重原子数：

227
可旋转键数：

94
环数：

10.0
sp3杂化的碳原子比例：

0.61
拓扑面积：

736
氢给体数：

17
氢受体数：

48

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(2S)-N-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2R)-1-[[2,4-di(docosoxy)phenyl]methoxy]-3-[(1-hydroxyethylideneamino)methylsulfanyl]-1-oxopropan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]imino-1-hydroxy-6-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]hexan-2-yl]imino-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[(2R)-1-hydroxy-3-[(1-hydroxyethylideneamino)methylsulfanyl]-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propylidene]amino]ethylidene]amino]propylidene]amino]-6-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]hexylidene]amino]-N'-tritylbutanediimidic acid	1324007-68-2	C₁₈₄H₂₈₀N₂₀O₃₁S₂	3332.49

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	somatostatin	38916-34-6	C₇₆H₁₀₄N₁₈O₁₉S₂	1637.9

反应信息

作为反应物：

描述：

(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]-N-[2-hydroxy-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-13,25,28-tribenzyl-4-[[2,4-di(docosoxy)phenyl]methoxycarbonyl]-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-19,34-bis[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]butyl]-31-(2-hydroxy-2-trityliminoethyl)-22-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-10,16-bis[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-[(2-methylpropan-2-yl)oxymethyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaen-37-yl]imino]ethyl]propanimidic acid 在三异丙基硅烷、三氟乙酸作用下，以水为溶剂，以95%的产率得到somatostatin

参考文献：

名称：

可溶性载体辅助的电化学反应：在阳极二硫键形成中的应用

摘要：

可溶性支持物辅助技术已成功应用于电化学反应，导致形成了阳极二硫键。与支持物结合的肽可溶于电解质溶液，从而使电子在电极表面转移。反应完成后，通过用不良溶剂简单稀释反应混合物，以沉淀形式回收结合了载体的产物。

DOI：

10.1021/ol302863r
作为产物：

描述：

(2S)-N-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2R)-1-[[2,4-di(docosoxy)phenyl]methoxy]-3-[(1-hydroxyethylideneamino)methylsulfanyl]-1-oxopropan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]imino-1-hydroxy-6-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]hexan-2-yl]imino-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[(2R)-1-hydroxy-3-[(1-hydroxyethylideneamino)methylsulfanyl]-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propylidene]amino]ethylidene]amino]propylidene]amino]-6-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]hexylidene]amino]-N'-tritylbutanediimidic acid 在 N,N,N,N-tetraethylammonium tetrafluoroborate 作用下，以四氢呋喃、甲醇为溶剂，以83%的产率得到(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]-N-[2-hydroxy-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-13,25,28-tribenzyl-4-[[2,4-di(docosoxy)phenyl]methoxycarbonyl]-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-19,34-bis[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]butyl]-31-(2-hydroxy-2-trityliminoethyl)-22-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-10,16-bis[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-7-[(2-methylpropan-2-yl)oxymethyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaen-37-yl]imino]ethyl]propanimidic acid

参考文献：

名称：

可溶性载体辅助的电化学反应：在阳极二硫键形成中的应用

摘要：

可溶性支持物辅助技术已成功应用于电化学反应，导致形成了阳极二硫键。与支持物结合的肽可溶于电解质溶液，从而使电子在电极表面转移。反应完成后，通过用不良溶剂简单稀释反应混合物，以沉淀形式回收结合了载体的产物。

DOI：

10.1021/ol302863r

点击查看最新优质反应信息

文献信息

Soluble-support-assisted Electrochemical Reactions: Application to Anodic Disulfide Bond Formation

作者：Shingo Kitada、Masahito Takahashi、Yusuke Yamaguchi、Yohei Okada、Kazuhiro Chiba

DOI：10.1021/ol302863r

日期：2012.12.7

technique was successfully applied to electrochemical reactions, leading to anodic disulfide bond formation. The support-bound peptide was soluble in electrolyte solution, allowing electron transfer at the surface of the electrodes. After completion of the reaction, the support-bound product was recovered as a precipitate by simple dilution of the reaction mixture with poor solvent.

可溶性支持物辅助技术已成功应用于电化学反应，导致形成了阳极二硫键。与支持物结合的肽可溶于电解质溶液，从而使电子在电极表面转移。反应完成后，通过用不良溶剂简单稀释反应混合物，以沉淀形式回收结合了载体的产物。

同类化合物

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