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6-Aminopyridine-3-sulfonic acid - ≥97%, high purity , CAS No.16250-08-1

COA

Grade & Purity:

≥97%

Cas Number: 16250-08-1
Molecular Weight: 174.18
PubChem CID: 459533

In stock

Item Number

A697792

Grouped product items
SKU	Size	Availability	Price	Qty
A697792-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
A697792-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives
      - Level5 Arylsulfonic acids and derivatives
        Level6 Arylsufonic acids
        Level7 1-sulfo,2-unsubstituted aromatic compounds

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Arylsulfonic acids and derivatives - Arylsufonic acids
Direct Parent	1-sulfo,2-unsubstituted aromatic compounds
Alternative Parents	Aminopyridines and derivatives Imidolactams Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-sulfo,2-unsubstituted aromatic compound - Aminopyridine - Pyridine - Imidolactam - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring.
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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 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

IUPAC Name	6-aminopyridine-3-sulfonic acid
INCHI	InChI=1S/C5H6N2O3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H2,6,7)(H,8,9,10)
InChIKey	YXFLGKSXYWHALA-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1S(=O)(=O)O)N
Isomeric SMILES	C1=CC(=NC=C1S(=O)(=O)O)N
PubChem CID	459533
Molecular Weight	174.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.180 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	174.01 Da
Monoisotopic Mass	174.01 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	220.000
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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