≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Retro-2 cycl (RN 1-001) is a dihydroquinazolinone (DHQZ) inhibitor of retrograde trafficking. Retro-2 cycl (RN 1-001) inhibits JCPyV and HPV16 pseudovirus with IC 50 s of 54 μM and 160 μM, respectively. Antiviral agent.
Form:Solid
| Canonical Smiles | CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one |
| InChIKey | BOAPXDSRULBILC-UHFFFAOYSA-N |
| INCHI | 1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3 |
| Isomeric SMILES | CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 |
| WGK Germany | 3 |
| PubChem CID | 71716811 |
| Molecular Weight | 320.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | 2,5-disubstituted thiophenes Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : ≥ 125 mg/mL (390.13 mM) |
|---|---|
| Molecular Weight | 320.400 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 320.098 Da |
| Monoisotopic Mass | 320.098 Da |
| Topological Polar Surface Area | 60.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
