MK-5172 - Moligand™, ≥98% , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.1350514-68-9, Hepatitis C virus serine protease, NS3/NS4A inhibitor

CAS: 1350514-68-9 Cat. No.: M124903 Peso molecular: 766.9
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
AC-29227 | EN300-19880554 | UNII-8YE81R1X1J | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di | Z2608566420 | GRAZOPREVIR [WHO-DD] | Grazoprevir anhydrous | ino[11,12-b]quinoxaline-8-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
M124903-1mg
2

46,90US$

70,90US$
Guardar 24,00 US$ (33.85%)
5mg
M124903-5mg
2

104,90US$

157,90US$
Guardar 53,00 US$ (33.57%)
10mg
M124903-10mg
2

159,90US$

239,90US$
Guardar 80,00 US$ (33.35%)
25mg
M124903-25mg
2

192,90US$

289,90US$
Guardar 97,00 US$ (33.46%)
50mg
M124903-50mg
2

236,90US$

355,90US$
Guardar 119,00 US$ (33.44%)
100mg
M124903-100mg
2

284,90US$

427,90US$
Guardar 143,00 US$ (33.42%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ 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.

Descripción general

MK-5172 is a novel P2-P4 quinoxaline macrocyclic HCV NS3/4a protease inhibitor currently in clinical development.

Specifications

Sinónimos
AC-29227 | EN300-19880554 | UNII-8YE81R1X1J | (1aR, 5S, 8S, 10R, 22aR)-5-tert-butyl-N-{(1R, 2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3, 6-di | Z2608566420 | GRAZOPREVIR [WHO-DD] | Grazoprevir anhydrous | ino[11, 12-b]quinoxaline-8-
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
in vitro: In biochemical assays, MK-5172 was effective against a panel of major genotypes and variants engineered with common resistant mutations observed in clinical studies with other NS3/4a protease inhibitors. In the replicon assay, MK-5172 demonstrat
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Pureza
≥98%
Propiedades del producto
ALogP4.7
Nombres e identificadores
Pubchem Sid488201016
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488201016
Sonrisas canónicasCC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1
IUPAC Name(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
InChIKeyOBMNJSNZOWALQB-NCQNOWPTSA-N
INCHI1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
Isómeros SMILES CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1
Peso molecular 766.9
Reaxy-Rn 32285691
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32285691&ln=

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentCyclic peptides
Alternative Parents Macrolactams  N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Quinoxalines  Pyrrolidinecarboxamides  Anisoles  Alkyl aryl ethers  Cyclopropanecarboxylic acids and derivatives  Pyrazines  Heteroaromatic compounds  Tertiary carboxylic acid amides  Carbamate esters  Aminosulfonyl compounds  Organosulfonic acids and derivatives  Organic carbonic acids and derivatives  Secondary carboxylic acid amides  Lactams  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Organonitrogen compounds  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Diazanaphthalene - Alpha-amino acid or derivatives - Quinoxaline - Anisole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Pyrazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carbamic acid ester - Aminosulfonyl compound - Carboxamide group - Lactam - Carbonic acid derivative - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Genome polyprotein (620 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS3 NS3 (1121 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS4A Hepatitis C virus serine protease, NS3/NS4A (1215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS3 protease (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

12 results found

Lot NumberCertificate TypeFechaArticulo
B2327724Certificate of AnalysisDec 16, 2024 M124903
B2327715Certificate of AnalysisDec 16, 2024 M124903
B2327712Certificate of AnalysisDec 16, 2024 M124903
B2327710Certificate of AnalysisDec 16, 2024 M124903
B2327709Certificate of AnalysisDec 16, 2024 M124903
B2327676Certificate of AnalysisDec 16, 2024 M124903
B2327716Certificate of AnalysisDec 06, 2024 M124903
B2327717Certificate of AnalysisDec 06, 2024 M124903
B2327719Certificate of AnalysisDec 06, 2024 M124903
B2327723Certificate of AnalysisDec 06, 2024 M124903
B2327726Certificate of AnalysisDec 06, 2024 M124903
B2327725Certificate of AnalysisAug 12, 2022 M124903

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Propiedades químicas y físicas
Solubilidad25°C: DMSO
Peso molecular766.900 g/mol
XLogP34.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass766.336 Da
Monoisotopic Mass766.336 Da
Topological Polar Surface Area204.000 Ų
Heavy Atom Count54
Formal Charge0
Complexity1580.000
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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