A-205804
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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.


Chemical Structure

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A-205804
CAS# 251992-66-2

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
10.0mg USD 390.0 2 Weeks
50.0g USD 1350.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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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

A-205804

10.0mg / USD 390.0