2,3-Pyridinedicarboxylic acid - CAS 89-00-9

Name: 2,3-Pyridinedicarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039316
Product Name:	2,3-Pyridinedicarboxylic acid
CAS:	89-00-9
Synonyms:	pyridine-2,3-dicarboxylic acid
Application:	A metabolite of tryptophan; Used to make Assert (herbicide) and nicotinic acid.

Technical Data

IUPAC Name:	pyridine-2,3-dicarboxylic acid
Description:	Quinolinic acid is an endogenous NMDA agonist and transmitter candidate. It may distinguish between NMDA receptor subtypes. By overactivating NMDA receptors, quinolinic acid produces neurotoxicity, which has been implicated in certain neurodegenerative disorders.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1=CC(=C(N=C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI Key:	GJAWHXHKYYXBSV-UHFFFAOYSA-N
Boiling Point:	425 °C at 760 mmHg
Melting Point:	188 °C
Purity:	99 %
Density:	1.551 g/cm³
Solubility:	Soluble in 180 parts water, in alkalies, slightly in alcohol. Almost insol in ether or benzene.
Appearance:	White solid
Storage:	Store in a cool and dry place (or refer to the Certificate of Analysis).
MDL:	MFCD00006295
LogP:	0.47800
Refractive Index:	1.62
Vapor Pressure:	0.0000061 [mmHg]

GHS Hazard Statement:	H302 (27.03%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
33713149	20210501	A human stem cell-derived test system for agents modifying neuronal N-methyl-D-aspartate-type glutamate receptor Ca2+-signalling	Archives of toxicology
31678113	20200105	Pyridine-2,3-dicarboxylate, quinolinic acid, induces 1N4R Tau amyloid aggregation in vitro: Another evidence for the detrimental effect of the inescapable endogenous neurotoxin	Chemico-biological interactions
30876764	20190701	Acute expression of the transcription factor Nrf2 after treatment with quinolinic acid is not induced by oxidative stress in the rat striatum	Neurotoxicology
30130594	20181101	Neuroprotective effect of naringin, a flavone glycoside in quinolinic acid-induced neurotoxicity: Possible role of PPAR-γ, Bax/Bcl-2, and caspase-3	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
30053448	20180925	Dietary hydrogenated vegetable fat exacerbates the activation of kynurenine pathway caused by peripheral lipopolysaccharide immune challenge in aged mice	Chemico-biological interactions

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02185764
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.02185764
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2