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Small Molecules & Compound Libraries
Mepiroxol - 10mM in DMSO, high purity , CAS No.6968-72-5

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Mepiroxol - 10mM in DMSO, high purity , CAS No.6968-72-5

COA

Grade & Purity:

10mM in DMSO

Cas Number: 6968-72-5
Molecular Weight: 125.13
PubChem CID: 71668

In stock

Item Number

M425577

Grouped product items
SKU	Size	Availability	Price	Qty
M425577-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	CCG-214031 \| EN300-140608 \| MEPIROXOL [INN] \| NSC758906 \| NSC-758906 \| 3-Pyridylcarbinol N-oxide \| 3-Pyrinemethanol 1-oxide \| AB01563378_02 \| 3-Pyridylcarbinol N-oxide, 97% \| SR-01000872729-1 \| Tox21_112363_1 \| [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： 3-Pyridylcarbinol N-oxide was used to develop a series of urinary biomarkers to assess the metabolic activation and detoxification of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in humans.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinium derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
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)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(1-oxidopyridin-1-ium-3-yl)methanol
INCHI	InChI=1S/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2
InChIKey	LQYJAVWWKTWWKN-UHFFFAOYSA-N
Smiles	C1=CC(=C[N+](=C1)[O-])CO
Isomeric SMILES	C1=CC(=C[N+](=C1)[O-])CO
WGK Germany	3
Molecular Weight	125.13
Reaxy-Rn	114419
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114419&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	87-89℃
Molecular Weight	125.130 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.048 Da
Monoisotopic Mass	125.048 Da
Topological Polar Surface Area	45.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.100
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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