WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 532480
CAS#: 1657025-60-9
Description: PSB1114 is a potent, selective P2Y2 agonist (EC50 = 0.134 μM). PSB1114 displays >60-fold selectivity versus P2Y4 and P2Y6 receptors.
MedKoo Cat#: 532480
Name: PSB1114
CAS#: 1657025-60-9
Chemical Formula: C10H15F2N2O13P3S
Exact Mass: 533.9476
Molecular Weight: 534.21
Elemental Analysis: C, 22.48; H, 2.83; F, 7.11; N, 5.24; O, 38.93; P, 17.39; S, 6.00
This product is not in stock, which may be available by custom synthesis.
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Synonym: PSB1114; PSB 1114; PSB-1114.
IUPAC/Chemical Name: ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid
InChi Key: DFGBPSGNGNHNQM-XVFCMESISA-N
InChi Code: InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
SMILES Code: FC(P(O)(OP(O)(OC[C@H]1O[C@@H](N(C(N2)=O)C=CC2=S)[C@H](O)[C@@H]1O)=O)=O)(P(O)(O)=O)F
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 534.21 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. El-Tayeb et al (2011) Structural modifications of UMP, UDP, and UTP leading to subtype-selective agonists for P2Y2, P2Y4, and P2Y6 receptors. J.Med.Chem. 54 2878. PMID: 21417463.
