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PD 144418 oxalate - ≥98%(HPLC), high purity , CAS No.1794760-28-3

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1794760-28-3
Molecular Weight: 372.42
PubChem CID: 53447361
PubChem SID: 504771261

In stock

Item Number

P287580

Grouped product items
SKU	Size	Availability	Price
P287580-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
P287580-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90
P287580-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$412.90
P287580-50mg	50mg	3	$754.90

High affinity, selective σ1ligand

View related series

Neuronal Signaling (3320) Sigma Receptor (61)

Basic Description

Synonyms	1,2,3,6-TETRAHYDRO-5-[3-(4-METHYLPHENYL)-5-ISOXAZOLYL]-1-PROPYLPYRIDINE OXALATE \| BP177453 \| J-009071 \| SCHEMBL466958 \| CS-0113254 \| EX-A6830 \| 1794760-28-3 \| 1794760-28-3 (oxalate) \| FT-0673537 \| AKOS030210938 \| PD 144418 (oxalate) \| DTXSID101336203 \| 5-
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	High affinity, selectiveσ1ligand (Kivalues are 0.08 and 1377 nM forσ1andσ2respectively). Displays no significant activity at a wide range of other receptors, ion channels and enzymes. Antagonizes mescaline-induced scratching in mice following i.p. adminis
Storage Temp	Store at -20°C,Desiccated
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Hydropyridines Dicarboxylic acids and derivatives Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Toluene - Dicarboxylic acid or derivatives - Hydropyridine - Azole - Isoxazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Pubchem Sid	504771261
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771261
IUPAC Name	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid
INCHI	InChI=1S/C18H22N2O.C2H2O4/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h5-9,12H,3-4,10-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKey	IWSFHSVGBKPYFN-UHFFFAOYSA-N
Smiles	CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O
Isomeric SMILES	CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O
Alternate CAS	154130-99-1
PubChem CID	53447361
Molecular Weight	372.42

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
B2306120	Certificate of Analysis	Jan 10, 2023	P287580
C2520346	Certificate of Analysis	Jan 10, 2023	P287580

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 18.62, Max Conc. mM: 50
Sensitivity	Moisture sensitive
Molecular Weight	372.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	372.169 Da
Monoisotopic Mass	372.169 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	432.000
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	2

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