Pamoic acid - CAS 130-85-8

Name: Pamoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007182
Product Name:	Pamoic acid
CAS:	130-85-8
Synonyms:	Embonic acid; 4,4'-Methylenebis(3-hydroxy-2-naphthoic acid); Pamosaeure; 1,1'-Methylene-bis(2-hydroxy-3-naphthoic acid)

Technical Data

Related CAS:	6640-22-8 (disodium)
IUPAC Name:	4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Description:	Pamoic acid is a potent agonist of GPR35 orphan receptors with antinociceptive effects. It was shown to activate ERK and beta-arrestin2.
Molecular Weight:	388.37
Molecular Formula:	C23H16O6
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChI:	InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
InChI Key:	WLJNZVDCPSBLRP-UHFFFAOYSA-N
Boiling Point:	642.7±55.0 °C at 760 mmHg
Melting Point:	≥300 °C (dec.)
Purity:	99 %
Density:	1.5±0.1 g/cm3
Appearance:	Fine yellow powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00004079
LogP:	4.39140

GHS Hazard Statement:	H315 (91.18%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
25805994	20150101	G protein-coupled receptor 35: an emerging target in inflammatory and cardiovascular disease	Frontiers in pharmacology
23888932	20130912	6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35	Journal of medicinal chemistry
23686350	20130701	International Union of Basic and Clinical Pharmacology. LXXXVIII. G protein-coupled receptor list: recommendations for new pairings with cognate ligands	Pharmacological reviews
23396314	20130601	Screening β-arrestin recruitment for the identification of natural ligands for orphan G-protein-coupled receptors	Journal of biomolecular screening
23044537	20121207	Interconversion between different stoichiometric forms of a three-component crystal via liquid-assisted grinding	Chemical communications (Cambridge, England)

Complexity:	569
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	388.09468823
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	388.09468823
Rotatable Bond Count:	4
Topological Polar Surface Area:	115 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.8