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

CAS: 129203-60-7 Cat. No.: I275380 分子式: C₁₇₉H₂₇₄N₅₀O₅₅S₇ 分子量: 4230.85 EC番号: 634-175-5 PubChem CID: 16132435

GRADE & PURITY Moligand™, ≥95%

Synonyms

GTPL4218 | IBERIOTOXIN SCORPION BUTHUS TAMULUS | IbTX | 773HER9B6T | HB1053 | C179H276N50O56S7 | UNII-773HER9B6T | DTXSID801045948 | Iberiotoxin | Iberiotoxin, from Buthus tamulus, >=85% (HPLC) | Iberiatoxin

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

同義語

GTPL4218 | IBERIOTOXIN SCORPION BUTHUS TAMULUS | IbTX | 773HER9B6T | HB1053 | C179H276N50O56S7 | UNII-773HER9B6T | DTXSID801045948 | Iberiotoxin | Iberiotoxin, from Buthus tamulus, >=85% (HPLC) | Iberiatoxin

仕様と純度

Moligand™, ≥95%

生化学的・生理学的メカニズム

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).

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

CHANNEL BLOCKER

作用メカニズム

Channel blocker of K Ca1.1

注

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.

純度

≥95%

名前と識別子

パブケム・シド

504768061

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504768061

カノニカル・スマイル

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

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

InChIKey

VDNVVLOBNHIMQA-UHFFFAOYSA-N

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)

異性体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

代替CAS番号

182897-30-9

PubChem CID

16132435

分子量

4230.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • 分類 Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• 分類: 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
• 説明: 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

Data sources

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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 溶解度: Soluble in water
• 感度: Light sensitive
• 分子量: 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 Ų
• 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