≥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.
USP7-IN-3 (Compound 5) is a potent and selective allosteric ubiquitin-specific protease 7 ( USP7 ) inhibitor
Form:Solid
IC50& Target:USP7
| Canonical Smiles | CN1C(=C2C(=N1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)CC(C4=CC=CC=C4)C(F)(F)F)O)C5=CC=C(C=C5)CN |
|---|---|
| IUPAC Name | 3-[4-(aminomethyl)phenyl]-6-[[4-hydroxy-1-[(3R)-4,4,4-trifluoro-3-phenylbutanoyl]piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one |
| InChIKey | RLPQYKGBXQQARM-JOCHJYFZSA-N |
| INCHI | 1S/C29H31F3N6O3/c1-36-26(21-9-7-19(16-33)8-10-21)24-25(35-36)27(40)38(18-34-24)17-28(41)11-13-37(14-12-28)23(39)15-22(29(30,31)32)20-5-3-2-4-6-20/h2-10,18,22,41H,11-17,33H2,1H3/t22-/m1/s1 |
| Isomeric SMILES | CN1C(=C2C(=N1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](C4=CC=CC=C4)C(F)(F)F)O)C5=CC=C(C=C5)CN |
| PubChem CID | 131750088 |
| Molecular Weight | 568.59 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolopyrimidines N-acylpiperidines Phenylmethylamines Benzylamines Pyrimidones Aralkylamines Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyrimidine - N-acyl-piperidine - Phenylmethylamine - Benzylamine - Aralkylamine - Pyrimidone - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 90 mg/mL (158.29 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 568.600 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 568.241 Da |
| Monoisotopic Mass | 568.241 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 958.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
