SJB2-043 - Moligand™, ≥98% , Inhibitor of ubiquitin specific peptidase 1, CAS No.63388-44-3, Inhibitor of ubiquitin specific peptidase 1

CAS: 63388-44-3 Cat. No.: S126106 Molecular Weight: 275.26 PubChem CID: 509070

GRADE & PURITY Moligand™, ≥98%

Synonyms

AC-36369 | AKOS027254768 | 2-phenyl-naphtho[2,3-d]oxazole-4,9-dione | 2-PHENYLNAPHTHO[2,3-D]OXAZOLE-4,9-DIONE | MFCD26960957 | 2-phenyl-naphthoxazole-4,9-quinone | A917582 | GTPL12225 | SJB2043 | sjb2-043 | 2-phenylbenzo[f][1,3]benzoxazole-4,9-dione | SCH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AC-36369 | AKOS027254768 | 2-phenyl-naphtho[2, 3-d]oxazole-4, 9-dione | 2-PHENYLNAPHTHO[2, 3-D]OXAZOLE-4, 9-DIONE | MFCD26960957 | 2-phenyl-naphthoxazole-4, 9-quinone | A917582 | GTPL12225 | SJB2043 | sjb2-043 | 2-phenylbenzo[f][1, 3]benzoxazole-4, 9-dione | SCH

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

IC50 Value: 0.544 uM (USP1) SJB2-043 is one of analogs/derivatives of C527, which is a novel and potent USP1 (ubiquitin-specific protease 1) inhibitor. Cells were treated with SJB2-043 for 24 hrs and cell extracts were incubated with HA-Ub-VS, followed b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of ubiquitin specific peptidase 1

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758959
• Canonical Smiles: C1=CC=C(C=C1)C2=NC3=C(O2)C(=O)C4=CC=CC=C4C3=O
• IUPAC Name: 2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
• InChIKey: CMYQQADDUUDCCA-UHFFFAOYSA-N
• INCHI: 1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC3=C(O2)C(=O)C4=CC=CC=C4C3=O
• PubChem CID: 509070
• Molecular Weight: 275.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Naphthalenes Aryl ketones Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Naphthalene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (1 Activities)

Discover Target: USP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: insoluble in H2O; insoluble in EtOH; ≥6.68 mg/mL in DMSO
• Molecular Weight: 275.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 275.058 Da
• Monoisotopic Mass: 275.058 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 443.000
• 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