CAS: 936616-33-0; 2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58As,61R,68R)-33-((1H-Imidazol-5-yl)Methyl)-21-((1H-Indol-3-yl)Methyl)-50-(2-Amino-2-Oxoethyl)-3,18-Bis(4-Aminobutyl)-68-Carbamoyl-27,39-Bis(3-Guanidinopropyl)-12,15-Bis(Hydroxymethyl)-36-Methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-Nonadecaoxo-61-(2-((S)-5-Oxopyrrolidine-2-Carboxamido)Acetamido)Tetrapentacontahydro-1H,46H-47,24-(Epiminopropanodithiomethano)-9,42-(Methanodithioethanoiminomethano)Pyrrolo[2,1-T1][1,2]Dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]Heptadecaazacyclohexapentacontin-30-yl)Acetic Acid

英文名称2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58As,61R,68R)-33-((1H-Imidazol-5-yl)Methyl)-21-((1H-Indol-3-yl)Methyl)-50-(2-Amino-2-Oxoethyl)-3,18-Bis(4-Aminobutyl)-68-Carbamoyl-27,39-Bis(3-Guanidinopropyl)-12,15-Bis(Hydroxymethyl)-36-Methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-Nonadecaoxo-61-(2-((S)-5-Oxopyrrolidine-2-Carboxamido)Acetamido)Tetrapentacontahydro-1H,46H-47,24-(Epiminopropanodithiomethano)-9,42-(Methanodithioethanoiminomethano)Pyrrolo[2,1-T1][1,2]Dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]Heptadecaazacyclohexapentacontin-30-yl)Acetic Acid
中文名称芋螺抗皱素
IUPAC名称2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid
其它别名Mu-Conotoxin; Conotoxin; Acety Tetrapeptide-9; Cono Antiwrinkle; L-Cysteinamide, 5-Oxo-L-Prolylglycyl-L-Cysteinyl-L-Cysteinyl-L-Asparaginylglycyl-L-Prolyl-L-Lysylglycyl-L-Cysteinyl-L-Seryl-L-Seryl-L-Lysyl-L-Tryptophyl-L-Cysteinyl-L-Arginyl-L-α-Aspartyl-L-Histidyl-L-Alanyl-L-Arginyl-L-Cysteinyl-, Cyclic (3→15),(4→21),(10→22)-Tris(Disulfide); Conotoxin/conopeptide/ctx; Mu-Conotoxin Usp/ep/bp
CAS编号936616-33-0
MFCD编号:MFCD00145036
EINECS号:692-855-7
分子式:C92H139N35O28S6
分子量:2375.74
产品CID: 1976438
产品分类有机原料 → 有机聚合物 → 多肽

相似结构搜索
InChIKey: PQKXBHZHSUVYIL-XAASTXGFSA-N
InChI=1S/C92H139N35O28S6/c1-43-73(138)113-50(15-8-22-102-91(97)98)79(144)124-64-41-161-160-40-63-88(153)119-55(27-66(95)130)76(141)107-33-70…
计算化学: 氢键受体数*氢键供体数*可旋转键数*

物理性质

密度1.71±0.1 g/cm3(预测)
储存条件Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
警示词Danger(危险)
危险描述H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.

欧盟法规

C&L通报

合成工艺路线路线简述

3262-72-4 + 7536-55-2 + 13726-76-6 + 15761-38-3 + 15761-39-4 + 17791-52-5 + 13139-14-5 + 4530-20-5 + 20887-95-0 + 13726-67-5 + 13734-28-6 + 53100-44-0 = 936616-33-0
反应条件:1.11.21.31.41.51.61.71.81.91.101.111.121.13R:Hf2.1R:Guanidine Chloride,R:R:S:H2O,Overnight,Rt2.2R:Acoh,Acidify
标题:A Novel μ-Conopeptide,Cniiic,Exerts Potent And Preferential Inhibition Of Nav1.2/1.4 Channels And Blocks Neuronal Nicotinic Acetylcholine Receptors
作者:By Favreau,Philippe Et Al
参考文献:British Journal Of Pharmacology 日期:2012 卷标:166(5) 页码:1654-1668