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Iberiotoxin

CAT: 0804-HY-P0190-02Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0190-02Size:500 µg
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Description
Iberiotoxin is a toxin isolated from Buthus tamulus scorpion venom. Iberiotoxin is a selective high conductance high conductance Ca2+-activated K+ channel inhibitor with a Kd of ~1 nM. Iberiotoxin does not block other types of voltage-dependent ion channels[1][2][3].
CAS Number
129203-60-7
UNSPSC
12352209
Hazard Statement
H300+H310+H330
Target
Potassium Channel
Type
Peptides
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-anti-virus
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/iberiotoxin.html
Purity
99.71
Solubility
H2O : ≥ 0.7 mg/mL
Smiles
O=C([C@@H](NC([C@@H](N1)CCC1=O)=O)CC2=CC=CC=C2)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]3CCCCN)=O)=O)CCCNC(N)=N)=O)CC(O)=O)=O)C(C)C)=O)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)CC(O)=O)=O)CCCCN)=O)CSSC[C@@H](C(N[C@H](C(N[C@H](C(O)=O)CCC(N)=O)=O)CC5=CC=C(O)C=C5)=O)NC6=O)=O)C(C)C)=O)CO)=O)CC7=CNC8=CC=CC=C78)=O)CSSC[C@@H](C(N[C@H]6CCCNC(N)=N)=O)NC9=O)=O)CCC(O)=O)=O)CCCCN)=O)CO)=O)C(C)C)=O)CO)=O)CSSC[C@@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]9CCCCN)=O)CCCCN)=O)=O)CCSC)=O)NC3=O)=O)CC(O)=O)=O)C(C)C)=O)CC(O)=O)=O)[C@@H](C)O
Molecular Formula
C179H274N50O55S7
Molecular Weight
4230.85
Precautions
H300+H310+H330
References & Citations
[4]R J Wang, et al. Downregulation of Large Conductance Calcium-Activated Potassium Channels in Paraventricular Nucleus Contributes to Sympathoexcitation in Rats With Chronic Heart Failure. Zhonghua Xin Xue Guan Bing Za Zhi. 2018 Mar 24;46 (3) :178-186.|[1] A Galvez, et al. Purification and Characterization of a Unique, Potent, Peptidyl Probe for the High Conductance Calcium-Activated Potassium Channel From Venom of the Scorpion Buthus Tamulus. J Biol Chem. 1990 Jul 5;265 (19) :11083-90.|[2]Santiago Echeverry, et al. Activation of BK Channel Contributes to PL-Induced Mesenchymal Stem Cell Migration. Front Physiol. 2020 Mar 24;11:210.|[3]S Candia, et al. Mode of Action of Iberiotoxin, a Potent Blocker of the Large Conductance Ca (2+) -activated K+ Channel. Biophys J. 1992 Aug;63 (2) :583-90.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Iberiotoxin

iberiotoxin has been reported in Scorpio with data available.

CAS Number129203-60-7
PubChem CID16132435
IUPAC Name5-amino-2-[[2-[[10-[[6-amino-2-[[6-amino-2-[[2-[[2-[[7,34-bis(4-aminobutyl)-37-[[2-[[2-[[2-[[10-(4-aminobutyl)-22-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC179H274N50O55S7
Molecular Weight4231
XLogP-22
Topological Polar Surface Area1890
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count69
Rotatable Bond Count100
Heavy Atom Count291
Formal Charge0
Complexity9970
SMILES
CC(C)CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CCCCN)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CCC(=O)O)CCCCN)CO)C(C)C)CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCC(=O)N6)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC7CSSCC(NC(=O)C(NC7=O)CCCNC(=N)N)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)NC(CCC(=O)N)C(=O)O)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC9=CC=CC=C9
InChI
InChI=1S/C179H274N50O55S7/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(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)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)82-287-291-86-128(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(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(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(154(260)222-126)52-55-134(240)241)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/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)
InChIKey
VDNVVLOBNHIMQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iberiotoxin
CAS: 129203-60-7
CID: 16132435
Formula: C179H274N50O55S7
MW: 4231
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4231
XLogP3-22
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count69
Rotatable Bond Count100
Exact Mass4228.8259161
Monoisotopic Mass4227.8225612
Topological Polar Surface Area1890 Ų
Heavy Atom Count291
Formal Charge0
Complexity9970
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count35
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
4030755.1Iberiotoxin
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