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P5091 - ≥98%, high purity , CAS No.882257-11-6

COA

Grade & Purity:

≥98%

Cas Number: 882257-11-6
Molecular Weight: 348.23
PubChem CID: 2819993
PubChem SID: 504762213

In stock

Item Number

P275400

Grouped product items
SKU	Size	Availability	Price
P275400-5mg	5mg	2	$77.90
P275400-10mg	10mg	2	$103.90
P275400-25mg	25mg	2	$234.90
P275400-50mg	50mg	2	$325.90
P275400-100mg	100mg	2	$521.90

Selective, effective and cell permeable inhibitors of USP7 de ubiquitination activity

View related series

Cell Cycle/DNA Damage (2602) Deubiquitinase (86) Unfolded Protein Response (214)

Basic Description

Synonyms	1-(5-((2,3-Dichlorophenyl)thio)-4-nitrothiophen-2-yl)ethan-1-one \| HMS3653E09 \| AC-32692 \| CS-1445 \| 1-(5-((2,3-Dichlorophenyl)thio)-4-nitrothiophen-2-yl)ethanone \| 1-[5-(2,3-Dichloro-phenylsulfanyl)-4-nitro-thiophen-2-yl]-ethanone \| HMS3743M19 \| 1-(5-(2,
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Potent, selective and cell-permeable USP-7 inhibitor (EC 50 = 4.2 μM). Induces apoptosis in cancer cells in vitro . Antiangiogenic and antitumor agent. Active in vitro and in vivo . P5091 plays an important role in ovarian cancer, as it can prevent the gr
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	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store under desiccating conditions. The product can be stored for up to 12 months. Application P5091 has been used: as a ubiquitin specific peptidase 47 (USP47) inhibitor in 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay to evaluate the cellular viability of MCF-10A cells as a USP7 inhibitor to study the regulatory role for USP7 on inflammasome activation as USP7 inhibitor in drug susceptibility assays to study its effect on bone marrow−resident tumor cells (BMRTCs)/ circulating tumor cells (CTCs)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

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 Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diarylthioether - 3-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 1,2-dichlorobenzene - Thiophenol ether - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - 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
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)

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

Associated Targets(non-human)

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

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	504762213
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762213
IUPAC Name	1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
INCHI	InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
InChIKey	LKZLGMAAKNEGCH-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]
Isomeric SMILES	CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]
PubChem CID	2819993
Molecular Weight	348.23

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
A2310114	Certificate of Analysis	Oct 18, 2023	P275400
A2310116	Certificate of Analysis	Oct 18, 2023	P275400
A2310392	Certificate of Analysis	Oct 18, 2023	P275400
A2310117	Certificate of Analysis	Oct 18, 2023	P275400
A2310118	Certificate of Analysis	Oct 18, 2023	P275400

Chemical and Physical Properties

Solubility	Soluble in DMSO to 50 mM (with warming) and in ethanol to 100 mM (with warming)
Molecular Weight	348.200 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	346.924 Da
Monoisotopic Mass	346.924 Da
Topological Polar Surface Area	116.000 Å²
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

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