CAS: 24345-16-2; 3-((3S,6S,9S,12S,15R,18S,21S,24S,27R,32R,35S,38S,43As,46S,49R)-49-Amino-27-(((S)-5-Amino-1-(((S)-5-Amino-1-(((S)-1-Amino-3-(1H-Imidazol-4-yl)-1-Oxopropan-2-yl)Amino)-1,5-Dioxopentan-2-yl)Amino)-1,5-Dioxopentan-2-yl)Carbamoyl)-46-(2-Amino-2-Oxoethyl)-35-(4-Aminobutyl)-21,24-Bis(3-Guanidinopropyl)-6-((R)-1-Hydroxyethyl)-12-Isobutyl-9,18,38-Trimethyl-1,4,7,10,13,16,19,22,25,33,36,39,45,48-Tetradecaoxotetracontahydro-31H-32,15-(Epiminoethanoiminopropanodithiomethano)Pyrrolo[2,1-E1][1,2]Dithia[5,8,11,14,17,20,23,26,29,32,35,38]Dodecaazacyclohentetracontin-3-yl)Propanoic Acid

英文名称3-((3S,6S,9S,12S,15R,18S,21S,24S,27R,32R,35S,38S,43As,46S,49R)-49-Amino-27-(((S)-5-Amino-1-(((S)-5-Amino-1-(((S)-1-Amino-3-(1H-Imidazol-4-yl)-1-Oxopropan-2-yl)Amino)-1,5-Dioxopentan-2-yl)Amino)-1,5-Dioxopentan-2-yl)Carbamoyl)-46-(2-Amino-2-Oxoethyl)-35-(4-Aminobutyl)-21,24-Bis(3-Guanidinopropyl)-6-((R)-1-Hydroxyethyl)-12-Isobutyl-9,18,38-Trimethyl-1,4,7,10,13,16,19,22,25,33,36,39,45,48-Tetradecaoxotetracontahydro-31H-32,15-(Epiminoethanoiminopropanodithiomethano)Pyrrolo[2,1-E1][1,2]Dithia[5,8,11,14,17,20,23,26,29,32,35,38]Dodecaazacyclohentetracontin-3-yl)Propanoic Acid
中文名称蜂针液明肽
IUPAC名称3-((3S,6S,9S,12S,15R,18S,21S,24S,27R,32R,35S,38S,43aS,46S,49R)-49-amino-27-(((S)-5-amino-1-(((S)-5-amino-1-(((S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)-46-(2-amino-2-oxoethyl)-35-(4-aminobutyl)-21,24-bis(3-guanidinopropyl)-6-((R)-1-hydroxyethyl)-12-isobutyl-9,18,38-trimethyl-1,4,7,10,13,16,19,22,25,33,36,39,45,48-tetradecaoxotetracontahydro-31H-32,15-(epiminoethanoiminopropanodithiomethano)pyrrolo[2,1-e1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38]dodecaazacyclohentetracontin-3-yl)propanoic acid
其它别名Apamin (Honeybee, Apis Mellifera); H-Cys-Asn-Cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-Cys-Ala-Arg-Arg-Cys-Gln-Gln-His-Nh2 (Cys1-Cys11, Cys3-Cys15); H-+cys-Asn-++cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-+cys-Ala-Arg-Arg-++cys-Gln-Gln- His-Nh2; H-Cys-Asn-Cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-Cys-Ala-Arg-Arg-Cys-Gln-Gln-His-Nh2; H-Cys-Asn-Cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-Cys-Ala-Arg-Arg-Cys-Gln-Gln-His-Nh2 (Disulfide Bridge: 1-11, 3-15); Cys-Asn-Cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-Cys-Ala-Arg-Arg-Cys-Gln-Gln-His-Nh2; Cys-Asn-Cys-Lys-Ala-Pro-Glu-Thr-Ala-Leu-Cys-Ala-Arg-Cys-Gln-Gln-His-Nh2
CAS编号24345-16-2
MFCD编号:MFCD00167944
EINECS号:246-182-7
分子式:C79H131N31O24S4分子量:2027.38
产品CID: 1190376

相似结构搜索
产品信息参考;
InChIKey: YVIIHEKJCKCXOB-STYWVVQQSA-N
InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-1
计算化学: 氢键受体数55.0氢键供体数31.0可旋转键数40.0

物理性质

沸点847.17°C (粗估)
密度1.6±0.1 g/cm3
PSA:1021.52
LogP:-14.24
折射率1.724
溶解性0.05 M Acetic Acid: 5 mg/mL, Clear, Colorless To Faintly Yellow
外观形态白色至类白色白色固体,带深棕褐色
储存条件-20°C

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
警示词Warning(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
防范说明P261-P342+P311
危险等级6.1(b)
UN编号2811
危险品标志Xn
包装等级III
安全声明22-24/25
危险类别码R23/25: toxic by inhalation and accidental swallowing. R50/53: extremely toxic to aquatic organisms, which may cause long-term adverse effects on the aquatic environment.
WGK Germany3

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海关参考信息

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2912120000-乙醛
2915110000-甲酸
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专利信息

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优先权日:2000-09-29
标题:Intermediates and the synthesis of modified carbocyanine dyes and their conjugates

专利号:US-7566790-B2
优先权日:2000-09-29
标题 :Intermediates and the synthesis of modified carbocyanine dyes and their conjugates

专利号:WO-9640890-A1
优先权日:1995-06-07
标题 :Non-naturally occurring targeted lipolytic compounds: synthesis, demonstration of potency, and practical and therapeutic applications

专利号:CN-111574591-A
优先权日:2020-04-29
标题 :A kind of polypeptide and its synthesis method and application

专利号:EP-0473411-A1
优先权日:1990-08-31
标题 :Xanthenylamide handle for use in peptide synthesis and methods of producing said handle and support incorporating it

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合成参考文献

摘要:Toxicon., 20(157), 1982
摘要:L1012: Wikipedia. Apamin. Last Updated 31 March 2009.
参考文献:10.1016/0014-5793(80)80165-7
摘要:Busetta B. Conformational analysis of apamin using the residual representation. FEBS Lett. 1980 Apr 07;112(2):138–42. doi: 10.1016/0014-5793(80)80165-7.
摘要:Hartter P. [Basic peptides in been venom, V. Synthesis of four fragments from the sequence of apamin (author's transl)]. Hoppe Seylers Z Physiol Chem. 1980 Apr;361(4):515–24.
摘要:Martin W, Hartter P. [Basic peptides in bee venom, VI. Structure-activity studies on the anti-inflammatory effects of derivatives and fragments of the MCD-peptide (author's transl)]. Hoppe Seylers Z Physiol Chem. 1980 Apr;361(4):525–35.