WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 561260
CAS#: 1213268-80-4
Description: PSB-16131 is the most potent Lp1NTPDase inhibitor described to date. Lp1NTPDase inhibition provides a novel approach for the (immuno)therapy of Legionella infections.
MedKoo Cat#: 561260
Name: PSB-16131
CAS#: 1213268-80-4
Chemical Formula: C28H17N2NaO5S
Exact Mass: 516.0756
Molecular Weight: 516.5
Elemental Analysis: C, 65.11; H, 3.32; N, 5.42; Na, 4.45; O, 15.49; S, 6.21
This product is not in stock, which may be available by custom synthesis.
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Synonym: PSB-16131; PSB16131; PSB 16131
IUPAC/Chemical Name: Sodium 1-amino-4-[phenanthrene-9-yl-amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
InChi Key: JWLRBBUFBVWSFA-UHFFFAOYSA-M
InChi Code: InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
SMILES Code: O=S(C(C(N)=C1C2=O)=CC(NC3=CC4=CC=CC=C4C5=CC=CC=C53)=C1C(C6=C2C=CC=C6)=O)([O-])=O.[Na+]
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
The following data is based on the product molecular weight 516.5 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 |
1: Fiene A, Baqi Y, Malik EM, Newton P, Li W, Lee SY, Hartland EL, Müller CE. Inhibitors for the bacterial ectonucleotidase Lp1NTPDase from Legionella pneumophila. Bioorg Med Chem. 2016 Sep 15;24(18):4363-71. doi: 10.1016/j.bmc.2016.07.027. Epub 2016 Jul 17. PubMed PMID: 27522579.
