MedKoo Cat#: 465452 | Name: S62798

Description:

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

S62798 is a novel competitive, selective and potent human TAFIa inhibitor (IC50±SD=​11.2±0.4nM), accelerating endogenous fibrinolysis in a murine model of pulmonary thromboembolism.

Chemical Structure

S62798
S62798
CAS#2107353-05-7

Theoretical Analysis

MedKoo Cat#: 465452

Name: S62798

CAS#: 2107353-05-7

Chemical Formula: C20H28FN4O4P

Exact Mass: 438.1832

Molecular Weight: 438.44

Elemental Analysis: C, 54.79; H, 6.44; F, 4.33; N, 12.78; O, 14.60; P, 7.06

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 #
No Data
Synonym
S62798; S 62798; S-62798; Servier;
IUPAC/Chemical Name
(3S)-3-(4-aminobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-4-hydroxy-1,4-azaphosphinane-3-carboxylic acid 4-oxide
InChi Key
ZBWZIBATIOSFOY-FQEVSTJZSA-N
InChi Code
InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1
SMILES Code
O=C([C@]1(CCCCN)CN(CC2=CC=C(F)C=C2C3=CN=CN3C)CCP1(O)=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
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 438.44 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: Sansilvestri-Morel P, Rupin A, Schaffner AP, Bertin F, Mennecier P, Lapret I, Declerck PJ, Baumy P, Vallez MO, Petit-Dop F, Tupinon-Mathieu I, Delerive P. S62798, a potent TAFIa inhibitor, accelerates endogenous fibrinolysis in a murine model of pulmonary thromboembolism. Thromb Res. 2021 Aug;204:81-87. doi: 10.1016/j.thromres.2021.06.007. Epub 2021 Jun 11. PMID: 34153648.