P 22077 - 10mM in DMSO , CAS No.1247819-59-5

CAS: 1247819-59-5 Cat. No.: P421049 Formule: C₁₂H₇F₂NO₃S₂ Poids moléculaire: 315.32 PubChem CID: 46931953

GRADE & PURITY 10mM in DMSO

Synonyms

1247819-59-5|P22077|P 22077|1-[5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone|1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone|CHEMBL2159498|1-(5-((2,4-Difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone|1-(5-(2,4-difluoroph

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Shipped at Room Temperature. Store at -20°C. Store under desiccating conditions.

Specifications

Synonymes

1247819-59-5 | P22077 | P 22077 | 1-[5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone | 1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone | CHEMBL2159498 | 1-(5-((2,4-Difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | 1-(5-(2,4-difluoroph

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Selective\xa0USP7 (IC 50 = 8\xa0μM)\xa0inhibitor. Active against closely related USP47. Selective versus SENP2c0re (IC 50 >50\xa0μM) and DENI (IC 50 >50\xa0μM). Destabilizes Claspin. Inhibits neuroblastoma growth by inducing p53-mediated apoptosis.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

• Pubchem Sid: 528766519
• Sourires canoniques: CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
• IUPAC Name: 1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
• InChIKey: RMAMGGNACJHXHO-UHFFFAOYSA-N
• INCHI: 1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
• Isomères SMILES: CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
• PubChem CID: 46931953
• Numéro ONU: 3077
• Groupe d'emballage: III
• Poids moléculaire: 315.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: 3-nitrothiophenes Thiophenol ethers 2,3,5-trisubstituted thiophenes Aryl alkyl ketones Nitroaromatic compounds Fluorobenzenes Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - 3-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Thiophenol ether - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organooxygen compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Cibles associées (humaines)

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

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

HCT-116 (91556 Activities)

Explore this target

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

USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)

Discover Target: USP7

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

USP47 Tchem Ubiquitin carboxyl-terminal hydrolase 47 (99 Activities)

Discover Target: USP47

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 315.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 314.984 Da
• Monoisotopic Mass: 314.984 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 393.000
• 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