WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 466149
CAS#: 167843-21-2
Description: S-18326 is a potent and selective thrombin inhibitor for the treatment of thromboembolic disorders.
MedKoo Cat#: 466149
Name: S-18326
CAS#: 167843-21-2
Chemical Formula: C23H37BN6O5
Exact Mass: 488.2918
Molecular Weight: 488.396
Elemental Analysis: C, 56.56; H, 7.64; B, 2.21; N, 17.21; O, 16.38
This product is not in stock, which may be available by custom synthesis.
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Synonym: S-18326; S18326; S 18326;
IUPAC/Chemical Name: ((6S,9S,12R)-1-amino-12-benzyl-9-cyclopentyl-1-imino-8,11,14-trioxo-2,7,10,13-tetraazapentadecan-6-yl)boronic acid
InChi Key: CAONAMOVQGJFHK-AQNXPRMDSA-N
InChi Code: InChI=1S/C23H37BN6O5/c1-15(31)28-18(14-16-8-3-2-4-9-16)21(32)30-20(17-10-5-6-11-17)22(33)29-19(24(34)35)12-7-13-27-23(25)26/h2-4,8-9,17-20,34-35H,5-7,10-14H2,1H3,(H,28,31)(H,29,33)(H,30,32)(H4,25,26,27)/t18-,19-,20+/m1/s1
SMILES Code: CC(N[C@H](CC1=CC=CC=C1)C(N[C@@H](C2CCCC2)C(N[C@@H](B(O)O)CCCNC(N)=N)=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
The following data is based on the product molecular weight 488.396 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: De Nanteuil G, Verbeuren TJ. S 18326: a thrombin inhibitor that shows potential for oral treatment of thromboembolic disorders. Expert Opin Investig Drugs. 1999 Feb;8(2):173-80. doi: 10.1517/13543784.8.2.173. PMID: 15992071.
2: Gaussem P, Dubar M, le Bonniec B, Richard-Lordereau I, Jochemsen R, Aiach M. Dose-effect relationship for several coagulation markers during administration of the direct thrombin inhibitor S 18326 in healthy subjects. Br J Clin Pharmacol. 2002 Feb;53(2):147-54. doi: 10.1046/j.0306-5251.2001.01534.x. PMID: 11851638; PMCID: PMC1874285.
3: Rupin A, Mennecier P, Lila C, de Nanteuil G, Verbeuren TJ. Selection of S18326 as a new potent and selective boronic acid direct thrombin inhibitor. Thromb Haemost. 1997 Oct;78(4):1221-7. PMID: 9364988.
