For research use only. Not for therapeutic Use.
Iberiotoxin TFA(CAT: I040717) is a potent and selective peptide inhibitor of large-conductance calcium-activated potassium (BK or KCa1.1) channels. Isolated from the venom of the Buthus tamulus scorpion, Iberiotoxin binds to the external face of the channel, blocking potassium ion flow and modulating cellular excitability. It is widely used in neurophysiology, cardiovascular, and smooth muscle research to investigate BK channel function and signaling. The trifluoroacetate (TFA) salt form ensures stability and solubility in experimental applications. Iberiotoxin is an essential tool for exploring ion channel pharmacology and calcium-dependent signaling pathways.
| Molecular Formula | C179H274N50O55S7.xC2HF3O2 |
| Purity | ≥95% |
| IUPAC Name | (2S)-5-amino-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,84S,89S,92S,95S)-15,42,62,75,78-pentakis(4-aminobutyl)-24-benzyl-4,36-bis(3-carbamimidamidopropyl)-50-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-65-(2-carboxyethyl)-18,33-bis(carboxymethyl)-53,59,92-tris(hydroxymethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-30,56,95-tri(propan-2-yl)-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88,91,94,97-octacosazatricyclo[43.27.14.1112,68]heptanonacontane-7-carbonyl]amino]propanoyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C179H274N50O55S7.C2HF3O2/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124-82-287-290-85-127(223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107)171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(52-55-134(240)241)154(260)222-126-84-288-286-81-123(220-151(257)105(43-25-30-61-184)200-147(253)101(39-21-26-57-180)197-132(238)76-194-145(251)109(56-64-285-12)205-167(124)273)166(272)203-106(45-32-63-191-179(188)189)152(258)221-125(169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)83-289-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(211-170(126)276)69-96-74-192-99-38-20-19-37-98(96)99;3-2(4,5)1(6)7/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191);(H,6,7)/t92-,100+,101+,102+,103+,104+,105+,106+,107?,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,139+,140+,141+,142+,143+;/m1./s1 |
| InChIKey | ZDGJIMQFDSPUJP-XYHSBZLHSA-N |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC5=CC=CC=C5)CC(C)C)CC(=O)O)CCCCN)C(C)C)CO)CC6=CNC7=CC=CC=C76)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CO)C(C)C)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCSC)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)C9CCC(=O)N9)O.C(=O)(C(F)(F)F)O |
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