MedKoo Cat#: 562888 | Name: PSB-6426

Description:

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

PSB-6426 is the first potent and selective inhibitor of human nucleoside triphosphate diphosphohydrolase-2 (NTPDase2).

Chemical Structure

PSB-6426
PSB-6426
CAS#958459-33-1

Theoretical Analysis

MedKoo Cat#: 562888

Name: PSB-6426

CAS#: 958459-33-1

Chemical Formula: C22H29N4O10P

Exact Mass: 540.1621

Molecular Weight: 540.46

Elemental Analysis: C, 48.89; H, 5.41; N, 10.37; O, 29.60; P, 5.73

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.
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Related CAS #
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Synonym
PSB-6426; PSB 6426; PSB6426;
IUPAC/Chemical Name
(2S,3S,4R,5R)-N-[2-[4-(Diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
InChi Key
AEVBPXDFDKBGLT-YOUFYPILSA-N
InChi Code
InChI=1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1
SMILES Code
O=C([C@H]1O[C@@H](N(C(N2)=O)C=CC2=O)[C@H](O)[C@@H]1O)NCC(NC3=CC=C(CP(OCC)(OCC)=O)C=C3)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 540.46 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
1: Hayashi M, Inagaki A, Novak I, Matsuda H. The adenosine A2B receptor is involved in anion secretion in human pancreatic duct Capan-1 epithelial cells. Pflugers Arch. 2016 Jul;468(7):1171-81. doi: 10.1007/s00424-016-1806-9. Epub 2016 Mar 11. PubMed PMID: 26965147; PubMed Central PMCID: PMC4943985. 2: Brunschweiger A, Iqbal J, Umbach F, Scheiff AB, Munkonda MN, Sévigny J, Knowles AF, Müller CE. Selective nucleoside triphosphate diphosphohydrolase-2 (NTPDase2) inhibitors: nucleotide mimetics derived from uridine-5'-carboxamide. J Med Chem. 2008 Aug 14;51(15):4518-28. doi: 10.1021/jm800175e. Epub 2008 Jul 17. PubMed PMID: 18630897; PubMed Central PMCID: PMC5241159.