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Selective antagonist of α3β4 nicotinic acetylcholine receptors
CAT No: R1921
CAS No: 216299-21-7
Synonyms/Alias: Alpha-Conotoxin AuIB;216299-21-7;A-CONOTOXIN AUIB;CHEMBL5434420;alpha-Conotoxin AuIB TFA;GTPL3973;BDBM50618165;AKOS024457439;DA-68901;Q27074396;
Chemical Name: 2-[53-[(2-aminoacetyl)amino]-18-(2-amino-2-oxoethyl)-27-benzyl-6-carbamoyl-21-(1-hydroxyethyl)-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecazapentacyclo[28.20.7.012,16.033,37.039,43]heptapentacontan-9-yl]acetic acid
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M.F/Formula | C65H89N17O21S4 |
M.W/Mr. | 1572.8 |
Sequence | One Letter Code:GCCSYPPCFATNPDC Three Letter Code:H-Gly-Cys(1)-Cys(2)-Ser-Tyr-Pro-Pro-Cys(1)-Phe-Ala-Thr-Asn-Pro-Asp-Cys(2)-NH2 |
Appearance | Powder |
Activity | Antagonist |
Biological Activity | Selective antagonist of α3β4 nicotinic acetylcholine receptors. Displays > 100-fold selectivity over other receptor subunit combinations including α2β2, α2β4, α3β2, α4β2, α4β4 and α1β1γδ. |
Long-term Storage Conditions | Soluble to 5 mg/ml in water |
InChI | InChI=1S/C65H89N17O21S4/c1-31-53(91)79-51(32(2)84)62(100)74-39(23-48(67)86)64(102)80-18-6-11-45(80)60(98)72-37(24-50(88)89)55(93)76-41(52(68)90)27-104-106-29-43-59(97)75-40(26-83)56(94)73-38(22-34-14-16-35(85)17-15-34)63(101)82-20-8-13-47(82)65(103)81-19-7-12-46(81)61(99)78-44(30-107-105-28-42(57(95)77-43)70-49(87)25-66)58(96)71-36(54(92)69-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,83-85H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,86)(H2,68,90)(H,69,92)(H,70,87)(H,71,96)(H,72,98)(H,73,94)(H,74,100)(H,75,97)(H,76,93)(H,77,95)(H,78,99)(H,79,91)(H,88,89)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1 |
InChI Key | SVNSCQIKKAACJG-SBLJLSJOSA-N |
Canonical SMILES | CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(CSSCC3C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CSSCC(C(=O)N3)NC(=O)CN)C(=O)NC(C(=O)N1)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)CO)C(=O)N)CC(=O)O)CC(=O)N)C(C)O |
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