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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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
| ALogP | 6.8 |
|---|
| Canonical 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 |
|---|---|
| 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) |
| Isomeric 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 |
| Alternate CAS | 1902114-15-1 |
| PubChem CID | 121276461 |
| MeSH Entry Terms | 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 |
| Molecular Weight | 715.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic 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 Framework | Aromatic 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 |
| Description | This 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 |
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| Solubility | DMSO : 130 mg/mL (181.61 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 715.800 g/mol |
| XLogP3 | 6.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 715.263 Da |
| Monoisotopic Mass | 715.263 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1290.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |