≥98% 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.
USP7-IN-1 is a selective and reversible inhibitor of ubiquitin-specific protease 7 (USP7) , with an IC 50 of 77 μM, and can be used for the research of cancer .
In Vitro
USP7-IN-1 (Example 2) is a selective and reversible inhibitor of USP7, with an IC 50 of 77 μM, and shows no inhibition of USP8, USP5, Uch-L1, Uch-L3 or caspase 3. USP7-IN-1 inhibits the proliferation of HCT116 cells, with a GI 50 of 67 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 77 μM (USP7)
| Canonical Smiles | C1CN(CCC1(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O)C(=O)CCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 7-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one |
| InChIKey | CITWIBXKKHFDFM-UHFFFAOYSA-N |
| INCHI | 1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2 |
| Isomeric SMILES | C1CN(CCC1(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O)C(=O)CCC4=CC=CC=C4 |
| PubChem CID | 71278663 |
| Molecular Weight | 425.91 |
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 | N-acylpiperidines Pyrimidones Benzene and substituted derivatives Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - N-acyl-piperidine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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 : 100 mg/mL (234.79 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 425.900 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 425.151 Da |
| Monoisotopic Mass | 425.151 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 656.000 |
| 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 |
