CAS 98-98-6|2-Picolinic acid

Introduction：Basic information about CAS 98-98-6|2-Picolinic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2-Picolinic acid BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles57
8. Synonyms

Common Name	2-Picolinic acid
CAS Number	98-98-6	Molecular Weight	123.109
Density	1.3±0.1 g/cm3	Boiling Point	292.5±13.0 °C at 760 mmHg
Molecular Formula	C₆H₅NO₂	Melting Point	139-142 °C(lit.)
MSDS	ChineseUSA	Flash Point	130.7±19.8 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	picolinic acid
Synonym	More Synonyms

2-Picolinic acid BiologicalActivity

Description	PCL 016 is a topical antiviral agent, which inhibits adenovirus replication in rabbit.
Related Catalog	Natural Products >>OthersResearch Areas >>Infection
Target	Human Endogenous Metabolite
In Vivo	Topical 1.5% PCL, 0.8% PCL, 0.369% PCL (pH7), 0.369% PCL (pH4) and 0.5% CDV are significantly more effective than the Control in reducing Ad Positive Cultures/Total (Days 1-14) and the Duration of Ad Shedding in the Ad5/NZW rabbit ocular model. Although not statistically significant, there appears to be a trend toward concentration-dependent efficacy of PCL 016 on the Duration of Ad Shedding. There is no apparent ocular toxicity associated with PCL 016 concentrations[1].
Animal Admin	Rabbits[1] 25 NZW rabbits are topically inoculated in both eyes, following corneal scarification, with 1.5 x 106 pfu/eye of Ad5. On day 1, the rabbits are divided into 6 topical treatment groups: I - 1.5% PCL 016 pH 7.0 (n=4); II - 0.8% PCL 016 pH 7.0 (n=4); III - 0.369% PCL 016 pH 7.0 (n=4); IV - 0.369% PCL 016 pH 4.0 (n=4); V - 0.5% Cidofovir (CDV) (n=4); VI - Control (saline) (n=5). PCL 016 and control rabbits are treated in both eyes 4 times daily for 7 days, while CDV rabbits are treated in both eyes twice daily for 7 days. All eyes are cultured for virus on days 0, 1, 3, 4, 5, 7, 9, 11, and 14[1].
References	[1]. E.G. Romanowski, et al. A Novel Topical Antiviral Agent, PCL–016 (Picolinic Acid), Inhibits Adenovirus Replication in the Ad5/NZW Rabbit Ocular Model. ARVO Annual Meeting Abstract. May 2005 Volume 46, Issue 13.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	292.5±13.0 °C at 760 mmHg
Melting Point	139-142 °C(lit.)
Molecular Formula	C₆H₅NO₂
Molecular Weight	123.109
Flash Point	130.7±19.8 °C
Exact Mass	123.032028
PSA	50.19000
LogP	-0.10
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.571
InChIKey	SIOXPEMLGUPBBT-UHFFFAOYSA-N
SMILES	O=C(O)c1ccccn1
Storage condition	Store at RT.
Water Solubility	887 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TJ7344000

CHEMICAL NAME :: Picolinic acid

CAS REGISTRY NUMBER :: 98-98-6

BEILSTEIN REFERENCE NO. :: 0109595

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H5-N-O2

MOLECULAR WEIGHT :: 123.12

WISWESSER LINE NOTATION :: T6NJ BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 360 mg/kg

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes

REFERENCE :: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 17,2377,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 487 mg/kg

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 23,1343,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 178 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 295 gm/kg/8D-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes

REFERENCE :: ETPAEK Experimental and Toxicologic Pathology. (Gustav Fischer Verlag Jena, Postfach 100537, D-07705 Jena, Germany) V.44- 1992- Volume(issue)/page/year: 47,25,1995

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H319
Precautionary Statements	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn,Xi
Risk Phrases	R22:Harmful if swallowed. R36:Irritating to the eyes. R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases	S26-S36-S33-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	TJ7344000
HS Code	29333999

Customs

HS Code	29333999

Articles57

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Interaction of vanadium(IV) with human serum apo-transferrin.

J. Inorg. Biochem. 121 , 187-95, (2013)

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Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

J. Med. Chem. 54 , 591-602, (2011)

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...

Synonyms

2-pyridinecarboxylic acid

Picolinic acid

pyridine-2-carboxylic acid

acidepicolique

EINECS 202-719-7

2-Carboxypyridine

MFCD00006293

2-acid pyridine

2-Picolinic acid

Sorafenib Impurity 18

PCL 016

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