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IU1-47 - ≥98%(HPLC), high purity , CAS No.670270-31-2

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 670270-31-2
Molecular Weight: 330.85
PubChem CID: 675477

In stock

Item Number

I288097

Grouped product items
SKU	Size	Availability	Price
I288097-5mg	5mg	2	$147.90
I288097-10mg	10mg	3	$226.90
I288097-25mg	25mg	2	$464.90
I288097-50mg	50mg	2	$741.90
I288097-100mg	100mg	2	$1,187.90

Potent USP14 inhibitor

View related series

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

Basic Description

Synonyms	1-[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-piperidinyl)ethanone
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent USP14 inhibitor (IC50= 60 nM). Demonstrates >30-fold selectivity for USP14 over USP5 (IsoT). Enhances degradation of proteasome substratesin vitro. Increases degradation of wild type and pathological tau in MEFs, primary neuronal cultures and human
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	Aryl alkyl ketones Chlorobenzenes Piperidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrole - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Alpha-aminoketone - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
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

Names and Identifiers

IUPAC Name	1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
INCHI	InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKey	VXQIPRWKLACSKZ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCCC3
Isomeric SMILES	CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCCC3
Molecular Weight	330.85
Reaxy-Rn	21663581
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21663581&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2221005	Certificate of Analysis	Sep 09, 2022	I288097
K2221006	Certificate of Analysis	Sep 09, 2022	I288097
K2221007	Certificate of Analysis	Sep 09, 2022	I288097
K2221008	Certificate of Analysis	Sep 09, 2022	I288097
K2221033	Certificate of Analysis	Sep 09, 2022	I288097

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 3.31, Max Conc. mM: 10 with gentle warming
Molecular Weight	330.800 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	330.15 Da
Monoisotopic Mass	330.15 Da
Topological Polar Surface Area	25.200 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	402.000
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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