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MedKoo Cat#: 121125 | Name: MRS4596

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MRS4596 is a P2X4 Receptor Antagonist.

Chemical Structure

MRS4596
MRS4596
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 121125

Name: MRS4596

CAS#: Unknown

Chemical Formula: C21H14N5NaO3S

Exact Mass: 439.0715

Molecular Weight: 439.42

Elemental Analysis: C, 57.40; H, 3.21; N, 15.94; Na, 5.23; O, 10.92; S, 7.30

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
MRS4596; MRS-4596; MRS 4596
IUPAC/Chemical Name
sodium 3-(4-(9-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]diazepin-5-yl)pyridin-2-yl)-5-thioxo-1,2,4-oxadiazol-4-ide
InChi Key
CWLWZDPOTVQEEK-UHFFFAOYSA-M
InChi Code
InChI=1S/C21H15N5O3S.Na/c1-11-2-4-14-12(8-11)3-5-16-19(14)23-17(27)10-18(28)26(16)13-6-7-22-15(9-13)20-24-21(30)29-25-20;/h2-9H,10H2,1H3,(H2,23,24,25,27,30);/q;+1/p-1
SMILES Code
CC1=CC2=CC=C(N(C3=CC(C4=NOC(N4[Na])=S)=NC=C3)C(C5)=O)C(NC5=O)=C2C=C1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 439.42 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.

Recalculate based on batch purity %
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
Toti KS, Verma R, McGonnigle MJ, Gamiotea Turro D, Wen Z, Lewicki SA, Liang BT, Jacobson KA. Structure-Activity Relationship and Neuroprotective Activity of 1,5-Dihydro-2H-naphtho[1,2-b][1,4]diazepine-2,4(3H)-diones as P2X4 Receptor Antagonists. J Med Chem. 2022 Sep 23. doi: 10.1021/acs.jmedchem.2c01197. Epub ahead of print. PMID: 36150180.

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