Ciluprevir , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.300832-84-2, Hepatitis C virus serine protease, NS3/NS4A inhibitor

CAS: 300832-84-2 Cat. No.: C125109 Peso molecular: 774.93
Disponible para pedir
Synonyms
(cyclopentoxycarbonylamino)-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-dioxo-[?]carboxylic acid | F2145-0237 | (2R,6S,12Z,13aS,14aR,16aS)-6-(((Cyclopentyloxy)carbonyl)amino)-2-((7-methoxy-2-(2-((1-methylethyl)amino)thiazol-4-yl)quinoli
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
C125109-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
547,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

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.

Specifications

Sinónimos
(cyclopentoxycarbonylamino)-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-dioxo-[?]carboxylic acid | F2145-0237 | (2R, 6S, 12Z, 13aS, 14aR, 16aS)-6-(((Cyclopentyloxy)carbonyl)amino)-2-((7-methoxy-2-(2-((1-methylethyl)amino)thiazol-4-yl)quinoli
Mecanismos bioquímicos y fisiológicos

Ciluprevir (BILN-2061; BILN 2061; BILN 2061ZW) is useful for Anti HCV.

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.
Tipo de acción
INHIBITOR
Mecanismo de acción
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Propiedades del producto
ALogP6.4
Nombres e identificadores
Sonrisas canónicasCC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O
IUPAC Name(1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
InChIKeyPJZPDFUUXKKDNB-KNINVFKUSA-N
INCHI1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
Isómeros SMILES CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O
Peso molecular 774.93
Reaxy-Rn 9685664
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9685664&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  Alpha amino acids and derivatives  Quinolines and derivatives  Anisoles  Secondary alkylarylamines  Alkyl aryl ethers  2,4-disubstituted thiazoles  Cyclopropanecarboxylic acids  Pyridines and derivatives  2-amino-1,3-thiazoles  Tertiary carboxylic acid amides  Pyrrolidines  Heteroaromatic compounds  Carbamate esters  Lactams  Amino acids  Secondary carboxylic acid amides  Organic carbonic acids and derivatives  Carboxylic acids  Monocarboxylic acids and derivatives  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - Macrolactam - Alpha-amino acid or derivatives - Quinoline - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Pyridine - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Azole - Pyrrolidine - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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





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NS3 NS3 (1121 Activities)
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NS4A Hepatitis C virus serine protease, NS3/NS4A (1215 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:
Propiedades químicas y físicas
SolubilidadDMSO
Peso molecular774.900 g/mol
XLogP36.400
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass774.341 Da
Monoisotopic Mass774.341 Da
Topological Polar Surface Area210.000 Ų
Heavy Atom Count55
Formal Charge0
Complexity1420.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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