WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 558769
CAS#: 251992-66-2
Description: A-205804 is a potent and selective inhibitor of E-selectin and ICAM-1 expression with IC50 of 20 nM and 25 nM respectively.
MedKoo Cat#: 558769
Name: A-205804
CAS#: 251992-66-2
Chemical Formula: C15H12N2OS2
Exact Mass: 300.04
Molecular Weight: 300.39
Elemental Analysis: C, 59.98; H, 4.03; N, 9.33; O, 5.33; S, 21.35
Synonym: A205804, A-205804,
IUPAC/Chemical Name: 4-[(4-Methylphenyl)thio]thieno[2,3-c]pyridine-2-carboxamide
InChi Key: QQGWEXFLMJGCAL-UHFFFAOYSA-N
InChi Code: 1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
SMILES Code: CC1=CC=C(SC2=C3C=C(SC3=CN=C2)C(N)=O)C=C1
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: >3 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 300.39 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. Stewart et al (2001) Discovery of inhibitors of cell adhesion molecule expression in human endothelial cells. 1. Selective inhibition of ICAM-1 and E-selectin expression. J.Med.Chem. 44 988 PMID: 11300880
2. Zhu et al (2001) Selective inhibition of ICAM-1 and E-selectin expression in human endothelial cells. 2. Aryl modifications of 4-(aryloxy)thieno[2,3-c]pyridines with fine-tuning at C-2 carbamides. J.Med.Chem. 44 3469 PMID: 11585452
3. Zhu et al (2002) Synthesis and mode of action of 125I- and 3H-labeled thieno[2,3-c]pyridine antagonists of cell adhesion molecule expression. J.Org.Chem. 67 943 PMID: 11856042
