Plecanatide - ≥98% , Heat-stable enterotoxin receptor agonist, CAS No.467426-54-6, Heat-stable enterotoxin receptor agonist

CAS: 467426-54-6 Cat. No.: P651581 分子式: C₆₅H₁₀₄N₁₈O₂₆S₄ 分子量: 1681.9 PubChem CID: 70693500

GRADE & PURITY ≥98%

Synonyms

(3-Glutamic acid(D>E))human uroguanylin | L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-Glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-leucine cyclic (4adagger?2),(7ada

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Plecanatide, an analogue of Uroguanylin, is an orally active guanylate cyclase-C (GC-C) receptor agonist. Plecanatide activates GC-C receptors to stimulate cGMP synthesis with an EC 50 of 190 nM in T84 cells assay. Plecanatide shows anti-inflammatory activity in models of murine colitis

In Vitro

Plecanatide (1 nM-10 μM) activates GC-C receptor to stimulate cyclic guanosine monophosphate (cGMP) synthesis in a dose-dependent manner with EC 50 of 190 nM in T84 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Plecanatide (0.5 and 2.5 mg/kg, p.o.) ameliorates spontaneous and chemically induced colitis after treatment for 7 days in BALB/c mice, and 14 days in TCRα -/- mice . Plecanatide (0.005-5 mg/kg, once daily for 7 days) also shows anti-inflammatory activity in dextran sulfate sodium (DSS) and trinitrobenzene sulfonic (TNBS)-induced colitis in BDF-1 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female BALB/c mice (2-4 month old) are induced colitis by TNBS Dosage: 0, 0.5 and 2.5 mg/kg Administration: P.o. for 7 days Result: Effectively reduced colitis severity scores as compared to vehicle treatment.

Form:Solid

IC50& Target:EC50: 190 nM (guanylate cyclase-C)

Specifications

同義語

(3-Glutamic acid(D>E))human uroguanylin | L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-Glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-leucine cyclic (4adagger?2),(7ada

仕様と純度

≥98%

生化学的・生理学的メカニズム

Plecanatide, an analogue of Uroguanylin, is an orally active guanylate cyclase-C (GC-C) receptor agonist. Plecanatide activates GC-C receptors to stimulate cGMP synthesis with an EC 50 of 190 nM in T84 cells assay. Plecanatide shows anti-inflammatory acti

保管条件

Protected from light,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。

アクションタイプ

AGONIST

作用メカニズム

Heat-stable enterotoxin receptor agonist

純度

≥98%

製品の性質

• ALogP: -8.2

名前と識別子

• パブケム・シド: 528766780
• カノニカル・スマイル: CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC(C)C)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N
• IUPAC Name: (2S)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7,13-di(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carbonyl]amino]-4-methylpentanoic acid
• InChIKey: NSPHQWLKCGGCQR-DLJDZFDSSA-N
• INCHI: 1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1
• 異性体SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N
• 代替CAS番号: 467426-54-6
• PubChem CID: 70693500
• MeSH用語: plecanatide;SP-304;Trulance
• 分子量: 1681.9

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 Glutamic acid and derivatives Asparagine and derivatives Aspartic acid and derivatives Leucine and derivatives Tetracarboxylic acids and derivatives N-acyl-L-alpha-amino acids Macrolactams Alpha amino acid amides N-acyl amines Secondary carboxylic acid amides Amino acids Secondary alcohols Primary carboxylic acid amides Organic disulfides Lactams Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Polypeptide - Cyclic alpha peptide - Glutamic acid or derivatives - Asparagine or derivatives - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Macrolactam - Tetracarboxylic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - N-acyl-amine - Fatty amide - Fatty acyl - Primary carboxylic acid amide - Amino acid - Lactam - Carboxamide group - Organic disulfide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic 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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 1681.900 g/mol
• XLogP3: -8.200
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 28
• Exact Mass: 1680.63 Da
• Monoisotopic Mass: 1680.63 Da
• Topological Polar Surface Area: 819.000 Ų
• Heavy Atom Count: 113
• Formal Charge: 0
• Complexity: 3490.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1