A-205804
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    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.

Chemical Structure

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A-205804
CAS# 251992-66-2
Instruction

Theoretical Analysis

MedKoo Cat#: 558769
Name: A-205804
CAS#: 251992-66-2
Chemical Formula: C15H12N2OS2
Exact Mass: 300.04
Molecular Weight: 300.390
Elemental Analysis: C, 59.98; H, 4.03; N, 9.33; O, 5.33; S, 21.35

Price and Availability

Size Price Availability Quantity
10mg USD 500 2 Weeks
50g USD 1500 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Yu R, Hou C, Peng Y, Zhu X, Shi C, Huang D, Miao Y, Li Q. The mechanism underlying ICAM-1 and E-selectin-mediated hypertriglyceridemic pancreatitis- associated lung injury. Mol Immunol. 2022 Dec;152:55-66. doi: 10.1016/j.molimm.2022.10.001. Epub 2022 Oct 21. PMID: 36279659.


2: Oh KK, Adnan M, Cho DH. New Insight into Drugs to Alleviate Atopic March via Network Pharmacology-Based Analysis. Curr Issues Mol Biol. 2022 May 18;44(5):2257-2274. doi: 10.3390/cimb44050153. PMID: 35678682; PMCID: PMC9164039.


3: Stewart AO, Bhatia PA, McCarty CM, Patel MV, Staeger MA, Arendsen DL, Gunawardana IW, Melcher LM, Zhu GD, Boyd SA, Fry DG, Cool BL, Kifle L, Lartey K, Marsh KC, Kempf-Grote AJ, Kilgannon P, Wisdom W, Meyer J, Gallatin WM, Okasinski GF. 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. 2001 Mar 15;44(6):988-1002. doi: 10.1021/jm000452m. PMID: 11300880.


4: Zhu GD, Arendsen DL, Gunawardana IW, Boyd SA, Stewart AO, Fry DG, Cool BL, Kifle L, Schaefer V, Meuth J, Marsh KC, Kempf-Grote AJ, Kilgannon P, Gallatin WM, Okasinski GF. 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. 2001 Oct 11;44(21):3469-87. doi: 10.1021/jm0101702. PMID: 11585452.


5: Zhu GD, Schaefer V, Boyd SA, Okasinski GF. Synthesis and mode of action of (125)I- and (3)H-labeled thieno[2,3-c]pyridine antagonists of cell adhesion molecule expression. J Org Chem. 2002 Feb 8;67(3):943-8. doi: 10.1021/jo016171j. PMID: 11856042.