PC786 - ≥99% , RNA-directed RNA polymerase L inhibitor, CAS No.1902114-15-1, RNA-directed RNA polymerase L inhibitor

CAS: 1902114-15-1 Cat. No.: P649826 Summenformel: C41H38FN5O4S Molekulargewicht: 715.83 PubChem CID: 121276461
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GRADE & PURITY ≥99%
Synonyms
1902114-15-1 | AKOS032954132 | MC0MD9J0F4 | PC786 | PC-786 | MS-31215 | UNII-MC0MD9J0F4 | N-(2-Fluoro-6-methylphenyl)-5,6-dihydro-6-(4-(((5-methyl-2-(7-oxa-2-azaspiro(3.5)non-2-yl)-3-pyridinyl)carbonyl)amino)benzoyl)-4H-thieno(3,2-d)(1)benzazepine-2-carbo
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
P649826-5mg
Auf Bestellung · 8–12 Wochen
1.007,36€
10mg
P649826-10mg
Auf Bestellung · 8–12 Wochen
1.701,55€
25mg
P649826-25mg
Auf Bestellung · 8–12 Wochen
3.298,19€
50mg
P649826-50mg
Auf Bestellung · 8–12 Wochen
5.554,31€
100mg
P649826-100mg
Auf Bestellung · 8–12 Wochen
8.678,17€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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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.

Übersicht

PC786 is an inhaled respiratory syncytial virus ( RSV ) L protein polymerase inhibitor. PC786 demonstrates potent antiviral activity against RSV-A ( IC 50 <0.09 to 0.71 nM) and RSV-B ( IC 50 , 1.3 to 50.6 nM).

In Vitro

PC786 demonstrates a potent and selective antiviral activity against laboratory-adapted or clinical isolates of RSV-A (IC 50 <0.09 to 0.71 nM) and RSV-B (IC 50 , 1.3 to 50.6 nM), which are determined by inhibition of cytopathic effects in HEp-2 cells without causing detectable cytotoxicity. PC786 inhibits RSV A2 activity, exhibiting an IC 50 and IC 90 of 0.50±0.0014 nM and 0.63±0.035 nM, respectively. PC786 inhibits RSV B WST activity, exhibiting an IC 50 and IC 90 of 27.3±0.77 nM and 57.1±3.87 nM, respectively. PC786 exhibits potent inhibition of cytopathic effect (CPE) induced by known RSV A clinical isolates (IC 50 , 0.14 to 3.2 nM). PC786 also exhibits potent inhibition of CPE induced by various low-passage-number clinical isolates of RSV A (IC 50 , 0.42 nM [median]) and RSV B (IC 50 , 17.5 nM [median]). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Once-daily treatment with PC786, on days-1 to 3, by either intratracheal (i.t.) or intranasal (i.n.) administration, is found to inhibit viral loads in the lungs of RSV A2-infected BALB/c mice. The viral load is below the level of detection when the drug is given at 2 mg/mL (40 μg/mouse [approximately 1.6 mg/kg of body weight] for i.t. treatment, or 80 μg/mouse [approximately 3.2 mg/kg] for i.n. treatment) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyme
1902114-15-1 | AKOS032954132 | MC0MD9J0F4 | PC786 | PC-786 | MS-31215 | UNII-MC0MD9J0F4 | N-(2-Fluoro-6-methylphenyl)-5,6-dihydro-6-(4-(((5-methyl-2-(7-oxa-2-azaspiro(3.5)non-2-yl)-3-pyridinyl)carbonyl)amino)benzoyl)-4H-thieno(3,2-d)(1)benzazepine-2-carbo
Spezifikationen & Reinheit
≥99%
Biochemische und physiologische Mechanismen
PC786 is an inhaled respiratory syncytial virus ( RSV ) L protein polymerase inhibitor. PC786 demonstrates potent antiviral activity against RSV-A ( IC 50 <0.09 to 0.71 nM) and RSV-B ( IC 50 , 1.3 to 50.6 nM).
Storage
Protected from light,Store at -20°C,Argon charged
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Aktionsart
INHIBITOR
Mechanismus der Wirkung
RNA-directed RNA polymerase L inhibitor
Reinheit
≥99%
Produkteigenschaften
ALogP
6.8
Namen und Kennungen
Kanonisches Lächeln
CC1=C(C(=CC=C1)F)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=C(N=CC(=C6)C)N7CC8(C7)CCOCC8
IUPAC Name
N-(2-fluoro-6-methylphenyl)-6-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
InChIKey
VTCJNYICQADBJD-UHFFFAOYSA-N
INCHI
1S/C41H38FN5O4S/c1-25-20-31(37(43-22-25)46-23-41(24-46)15-18-51-19-16-41)38(48)44-29-12-10-27(11-13-29)40(50)47-17-14-28-21-34(52-36(28)30-7-3-4-9-33(30)47)39(49)45-35-26(2)6-5-8-32(35)42/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,48)(H,45,49)
Isomere SMILES
CC1=C(C(=CC=C1)F)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=C(N=CC(=C6)C)N7CC8(C7)CCOCC8
Alternative CAS-Nummer
1902114-15-1
PubChem CID
121276461
MeSH-Eintrag
N-(2-fluoro-6-methylphenyl)-5,6-dihydro-6-(4-(((5-methyl-2-(7-oxa-2-azaspiro(3.5)non-2-yl)-3-pyridinyl)carbonyl)amino)benzoyl)-4H-thieno(3,2-D)(1)benzazepine-2-carboxamide;PC-786;PC786
Molekulargewicht
715.83

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
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAromatic anilides
Alternative Parents Benzazepines  Nicotinamides  Benzamides  Thiophene carboxamides  Dialkylarylamines  Benzoyl derivatives  2-heteroaryl carboxamides  2,3,5-trisubstituted thiophenes  Toluenes  Methylpyridines  Fluorobenzenes  Azepines  Aminopyridines and derivatives  Oxanes  Imidolactams  Aryl fluorides  Vinylogous amides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azetidines  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aromatic anilide - Benzazepine - Pyridine carboxylic acid or derivatives - Nicotinamide - Benzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Benzoyl - Methylpyridine - Toluene - Halobenzene - Fluorobenzene - Azepine - Aminopyridine - Imidolactam - Pyridine - Oxane - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (nicht menschlich)
Human orthopneumovirus (392 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Respiratory syncytial virus (3434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
LöslichkeitDMSO : 130 mg/mL (181.61 mM; Need ultrasonic)
Molekulargewicht715.800 g/mol
XLogP36.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass715.263 Da
Monoisotopic Mass715.263 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count52
Formal Charge0
Complexity1290.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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Häufig gestellte Fragen

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1902114-15-1, the molecular formula is C41H38FN5O4S, and the molecular weight is 715.83 g/mol. InChIKey VTCJNYICQADBJD-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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