Basic Description

Synonyms	GTPL4218 \| IBERIOTOXIN SCORPION BUTHUS TAMULUS \| IbTX \| 773HER9B6T \| HB1053 \| C179H276N50O56S7 \| UNII-773HER9B6T \| DTXSID801045948 \| Iberiotoxin \| Iberiotoxin, from Buthus tamulus, >=85% (HPLC) \| Iberiatoxin
Specifications & Purity	Moligand™, ≥95%
Biochemical and Physiological Mechanisms	Selective blocker of the high-conductance, Ca 2+ -activated K + channel. Originally isolated from the scorpion Mesobuthus tamulus . Specifically blocks K Ca 1.1 (Slo) channels (K i approx. 1 nM).
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	CHANNEL BLOCKER
Mechanism of action	Channel blocker of K Ca1.1
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic Polymers
  - Class Polypeptides

Kingdom	Organic compounds
Superclass	Organic Polymers
Class	Polypeptides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Polypeptides
Alternative Parents	Cyclic peptides Hexacarboxylic acids and derivatives Tyrosine and derivatives Phenylalanine and derivatives Glutamine and derivatives Aspartic acid and derivatives Methionine and derivatives Valine and derivatives Macrolactams Proline and derivatives N-acyl-alpha amino acids Tryptamines and derivatives Alpha amino acid amides Serine and derivatives Amphetamines and derivatives 3-alkylindoles Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Pyrrolidine-2-ones Heteroaromatic compounds Primary carboxylic acid amides Lactams Amino acids Secondary alcohols Guanidines Organic disulfides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carboximidamides Carboxylic acids Dialkylthioethers Primary alcohols Organic oxides Carbonyl compounds Monoalkylamines Imines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Polypeptide - Hexacarboxylic acid or derivatives - Cyclic alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Glutamine or derivatives - Methionine or derivatives - Aspartic acid or derivatives - Valine or derivatives - Macrolactam - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Triptan - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - Amphetamine or derivatives - N-substituted-alpha-amino acid - Indole - Indole or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Fatty amide - N-acyl-amine - Substituted pyrrole - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrolidine - Pyrrole - Secondary alcohol - Secondary carboxylic acid amide - Guanidine - Lactam - Carboxamide group - Organic disulfide - Amino acid or derivatives - Primary carboxylic acid amide - Amino acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Carboximidamide - Thioether - Alcohol - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Imine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (0 Activities)

Discover Target: KCNMA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	504768061
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768061
IUPAC Name	5-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
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
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
Isomeric 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
Alternate CAS	182897-30-9
PubChem CID	16132435
Molecular Weight	4230.85

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
L2108036	Certificate of Analysis	Jun 14, 2023	I275380

Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	Light sensitive
Molecular Weight	4231.000 g/mol
XLogP3	-22.000
Hydrogen Bond Donor Count	61
Hydrogen Bond Acceptor Count	69
Rotatable Bond Count	100
Exact Mass	4228.83 Da
Monoisotopic Mass	4227.82 Da
Topological Polar Surface Area	1890.000 Å²
Heavy Atom Count	291
Formal Charge	0
Complexity	9970.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	35
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Luo M et al.. (2020) Sanguinarine Rapidly Relaxes Rat Airway Smooth Muscle Cells Dependent on TAS2R Signaling.. Biol Pharm Bull, 43 (7): (1027-1034).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

Iberiotoxin - ≥95%, high purity , CAS No.129203-60-7, Channel blocker of K Ca1.1