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 분자식: C₃₆H₄₅N₅O₅S 분자량: 659.84 PubChem CID: 49773361

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

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주문 가능

GRADE & PURITY ≥99%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 자주 묻는 질문과 기사 솔루션 계산기 리뷰

🧪

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.

개요

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

동의어

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

NEGATIVE ALLOSTERIC MODULATOR

작동 메커니즘

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

순수함

≥99%

제품 특성

ALogP	4.5

이름과 식별자

정식 스마일	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
이성체 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
대체 CAS	958002-33-0
PubChem CID	49773361
MeSH 용어	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
분자량	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
  - 분류 Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	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
설명	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

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리뷰

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용해성	DMSO : ≥ 30 mg/mL (45.47 mM)
분자량	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