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S3QEL 2 - ≥98%(HPLC), high purity , CAS No.890888-12-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 890888-12-7
Molecular Weight: 323.44
PubChem CID: 17017624

In stock

Item Number

S288139

Grouped product items
SKU	Size	Availability	Price	Qty
S288139-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
S288139-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$206.90

Suppressor of complex III superoxide production

View related series

Glucose Metabolism (1943) Metabolic Enzyme/Protease (4860) Mitochondrial Metabolism (118)

Basic Description

Synonyms	1-(3,4-Dimethylphenyl)-N,N-dipropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Suppresses superoxide production by complex III in the mitochondria without affecting normal electron flux or cellular oxidative phosphorylation (IC50= 1.7μM). Suppresses HIF-1αaccumulation and enhances survival and function of primary pancreatic isletsin
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 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Pyrazolo[3,4-d]pyrimidines o-Xylenes Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - O-xylene - Xylene - Dialkylarylamine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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-(3,4-dimethylphenyl)-N,N-dipropylpyrazolo[3,4-d]pyrimidin-4-amine
INCHI	InChI=1S/C19H25N5/c1-5-9-23(10-6-2)18-17-12-22-24(19(17)21-13-20-18)16-8-7-14(3)15(4)11-16/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKey	MGIAJZSCNPODRR-UHFFFAOYSA-N
Smiles	CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C
Isomeric SMILES	CCCN(CCC)C1=NC=NC2=C1C=NN2C3=CC(=C(C=C3)C)C
PubChem CID	17017624
Molecular Weight	323.44

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 6.47, Max Conc. mM: 20 with gentle warming; Solvent:ethanol, Max Conc. mg/mL: 6.47, Max Conc. mM: 20 with gentle warming
Molecular Weight	323.400 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	323.211 Da
Monoisotopic Mass	323.211 Da
Topological Polar Surface Area	46.800 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	384.000
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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