The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
P 22077 - ≥98%, high purity , CAS No.1247819-59-5
Basic Description
Synonyms
P22077 | HY-13865 | Z1614727651 | 1-[5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone | 1-[5-[(2,4-Difluorophenyl)thio]-4-nitro-2-thienyl]ethanon | FT-0707469 | LGTLXDJOAJDFLR-UHFFFAOYSA- | AC-32695 | SW219709-1 | A899043 | C71981 | EX-A144
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
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.
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Shipped at Room Temperature. Store at -20°C. Store under desiccating conditions.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504770878
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770878
IUPAC Name
1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
INCHI
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
InChIKey
RMAMGGNACJHXHO-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
Isomeric SMILES
CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
PubChem CID
46931953
UN Number
3077
Packing Group
III
Molecular Weight
315.32
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO to 75 mM
Molecular Weight
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
L2405191