Name: Beclabuvir - ≥99% , Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator, CAS No.958002-33-0, Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator
SKU: B650107
Availability: InStock

Beclabuvir - ≥99% , Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator, CAS No.958002-33-0, Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator

CAS: 958002-33-0 Cat. No.: B650107 分子式: C₃₆H₄₅N₅O₅S 分子量: 659.84 PubChem CID: 49773361

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Beclabuvir - ≥99% CAS No(958002-33-0) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥99%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質よくある質問と記事ソリューション計算機レビュー

🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus ( HCV ) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC 50 of < 28 nM.

In Vitro

Beclabuvir demonstrates additive or synergistic antiviral activity with pegIFN/RBV and in 2- or 3-drug combinations with a range of DAAs, such as HCV NS3 protease inhibitors, NS5A inhibitors' and/or nucleoside NS5B inhibitors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The combination of beclabuvir with asunaprevir and daclatasvir achieves very high rates of viral eradication (about 90%) in patients infected with HCV genotype 1, which is the most common genotype worldwide . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: < 28 nM (NS5B protein)

Specifications

同義語

仕様と純度

≥99%

生化学的・生理学的メカニズム

保管条件

Store at -20°C

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

NEGATIVE ALLOSTERIC MODULATOR

作用メカニズム

Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator

純度

≥99%

製品の性質

ALogP	4.5

名前と識別子

カノニカル・スマイル	CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
IUPAC Name	(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
InChIKey	ZTTKEBYSXUCBSE-VSBZUFFNSA-N
INCHI	1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1
異性体SMILES	CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
代替CAS番号	958002-33-0
PubChem CID	49773361
MeSH用語	8-cyclohexyl-N-((dimethylamino)sulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)cycloprop(d)indolo(2,1-a)(2)benzazepine-5-carboxamide;beclabuvir;BMS-791325
分子量	659.84

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxamides and derivatives
Alternative Parents	Benzazepines 3-alkylindoles Pyrroloazepines Anisoles N-acylpyrrolidines Alkyl aryl ethers Azepanes N-methylpiperazines Azepines Substituted pyrroles Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Organic sulfuric acids and derivatives Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxamide derivative - Benzazepine - 3-alkylindole - Pyrroloazepine - Indole - Anisole - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Azepane - Azepine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Piperazine - 1,4-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Organic sulfuric acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
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

3 D構造

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レビュー

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溶解度	DMSO : ≥ 30 mg/mL (45.47 mM)
分子量	659.800 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	659.314 Da
Monoisotopic Mass	659.314 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1320.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1