PD-144418 Oxalate | CAS#1794760-28-3

PD-144418 Oxalate
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525248

CAS#: 1794760-28-3 (oxalate)

Description: PD-144418 Oxalate is a novel selective sigma ligand.

Chemical Structure

PD-144418 Oxalate

CAS# 1794760-28-3 (oxalate)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 525248
Name: PD-144418 Oxalate
CAS#: 1794760-28-3 (oxalate)
Chemical Formula: C20H24N2O5
Exact Mass: 372.17
Molecular Weight: 372.421
Elemental Analysis: C, 64.50; H, 6.50; N, 7.52; O, 21.48

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 310
50mg	USD 1250
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 154130-99-1 (free base) 1794760-28-3 (oxalate) 154131-00-7 (oxalate)

Synonym: PD-144418 Oxalate; PD-144418; PD144418; PD 144418;

IUPAC/Chemical Name: 3-(4-Methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole Oxalate

InChi Key: IWSFHSVGBKPYFN-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: CCCN1CC(C2=CC(C3=CC=C(C)C=C3)=NO2)=CCC1.O=C(O)C(O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot# TOC90509

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	PD 144418 oxalate is a highly affinity, potent and selective sigma 1 (σ1) receptor ligand.
In vitro activity:	PD 144418 exhibited an affinity for sigma 1 of 0.08 nM (Ki) versus a K1 of 1377 nM for sigma 2 site. Additional receptor binding studies indicated that PD 144418 lacked affinity for dopaminergic, adrenergic, muscarinic and a variety of other receptors. In vitro studies indicated that PD 144418 reversed the N-methyl-D-aspartate (NMDA)-induced increase in cyclic GMP (cGMP) in rat cerebellar slices without affecting the basal levels, suggesting that sigma 1 sites may be important in the regulation of glutamine-induced actions. Reference: Neuropharmacology. 1997 Jan;36(1):51-62. https://pubmed.ncbi.nlm.nih.gov/9144641/
In vivo activity:	The present study examined the effects of PD144418 on motivational aspects of feeding in male and female rats using an operant task under sated or food deprived conditions. Results indicated that when animals are sated, at the highest dose (10 μmol/kg), under a progressive ratio (PR) reinforcement schedule, PD144418 significantly attenuated the breakpoint and the number of active lever responses for sucrose pellets in both males and females. Reference: Behav Brain Res. 2019 Nov 5;373:112087. https://pubmed.ncbi.nlm.nih.gov/31325519/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	18.6	50.00

Preparing Stock Solutions

The following data is based on the product molecular weight 372.42 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Lever JR, Miller DK, Fergason-Cantrell EA, Green CL, Watkinson LD, Carmack TL, Lever SZ. Relationship between cerebral sigma-1 receptor occupancy and attenuation of cocaine's motor stimulatory effects in mice by PD144418. J Pharmacol Exp Ther. 2014 Oct;351(1):153-63. doi: 10.1124/jpet.114.216671. Epub 2014 Aug 6. PMID: 25100754; PMCID: PMC4165029. 2. Akunne HC, Whetzel SZ, Wiley JN, Corbin AE, Ninteman FW, Tecle H, Pei Y, Pugsley TA, Heffner TG. The pharmacology of the novel and selective sigma ligand, PD 144418. Neuropharmacology. 1997 Jan;36(1):51-62. doi: 10.1016/s0028-3908(96)00161-x. PMID: 9144641. 3. Tapia MA, Lee JR, Bathe EL, Rivera LL, Mason KL, Cessac ME, Bodeen JL, Miller DK, Will MJ. Sigma-1 receptor antagonist, PD144418, selectively reduces female motivation for food during negative energy balance. Behav Brain Res. 2019 Nov 5;373:112087. doi: 10.1016/j.bbr.2019.112087. Epub 2019 Jul 17. PMID: 31325519. 4. Tapia MA, Lever JR, Lever SZ, Will MJ, Park ES, Miller DK. Sigma-1 receptor ligand PD144418 and sigma-2 receptor ligand YUN-252 attenuate the stimulant effects of methamphetamine in mice. Psychopharmacology (Berl). 2019 Nov;236(11):3147-3158. doi: 10.1007/s00213-019-05268-2. Epub 2019 May 28. PMID: 31139878.
In vitro protocol:	1. Lever JR, Miller DK, Fergason-Cantrell EA, Green CL, Watkinson LD, Carmack TL, Lever SZ. Relationship between cerebral sigma-1 receptor occupancy and attenuation of cocaine's motor stimulatory effects in mice by PD144418. J Pharmacol Exp Ther. 2014 Oct;351(1):153-63. doi: 10.1124/jpet.114.216671. Epub 2014 Aug 6. PMID: 25100754; PMCID: PMC4165029. 2. Akunne HC, Whetzel SZ, Wiley JN, Corbin AE, Ninteman FW, Tecle H, Pei Y, Pugsley TA, Heffner TG. The pharmacology of the novel and selective sigma ligand, PD 144418. Neuropharmacology. 1997 Jan;36(1):51-62. doi: 10.1016/s0028-3908(96)00161-x. PMID: 9144641.
In vivo protocol:	1. Tapia MA, Lee JR, Bathe EL, Rivera LL, Mason KL, Cessac ME, Bodeen JL, Miller DK, Will MJ. Sigma-1 receptor antagonist, PD144418, selectively reduces female motivation for food during negative energy balance. Behav Brain Res. 2019 Nov 5;373:112087. doi: 10.1016/j.bbr.2019.112087. Epub 2019 Jul 17. PMID: 31325519. 2. Tapia MA, Lever JR, Lever SZ, Will MJ, Park ES, Miller DK. Sigma-1 receptor ligand PD144418 and sigma-2 receptor ligand YUN-252 attenuate the stimulant effects of methamphetamine in mice. Psychopharmacology (Berl). 2019 Nov;236(11):3147-3158. doi: 10.1007/s00213-019-05268-2. Epub 2019 May 28. PMID: 31139878.

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