Introduction：Basic information about CAS 251992-66-2|A-205804, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | A-205804 |
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| CAS Number | 251992-66-2 | Molecular Weight | 300.399 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 581.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C15H12N2OS2 | Melting Point | 198-199℃ |
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| MSDS | / | Flash Point | 305.4±28.7 °C |
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Names
| Name | 4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide |
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| Synonym | More Synonyms |
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A-205804 BiologicalActivity
| Description | A-205804 is an orally bioavailable, potent and selective lead inhibitor of E-selectin and ICAM-1 expression, with an IC50 of 20 nM and 25 nM for E-selectin and ICAM-1, respectively. A-205804 can be used in the research of chronic inflammatory diseases[1]. |
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| Related Catalog | Research Areas >>Inflammation/ImmunologySignaling Pathways >>Cytoskeleton >>Integrin |
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| Target | IC50: 20 nM (E-selectin), 25 nM (ICAM-1)[1] |
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| In Vitro | A-205804 exhibits Cellular Toxicities for HUVEC with an IC50 of 152 μM[1]. A-205804 is an effective inhibitor of cell-cell adhesion in an in vitro flow experiment, demonstrating relevance in a model physiological system[1]. |
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| In Vivo | A-205804 (5 mg/kg; p.o.) shows a half-life of 1 hour for rat[1]. A-205804 (10 mg/kg; p.o.; 3 times per week; for 2 weeks) attenuates the E-selectin expression on the endothelial vascular niche cells in mice[2]. Animal Model: C57BL/6 mice[2] Dosage: 10 mg/kg Administration: Oral administration, 3 times per week, for 2 weeks Result: Efficiently decreased the expression of E-selectin on the endothelial vascular niche cells Animal Model: Rat[1] Dosage: 5 mg/kg (Pharmacokinetic Analysis) Administration: Oral administration Result: t1/2 = 1 hour |
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| References | [1]. Stewart AO, et al. 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. [2]. Morita K, et al. RUNX transcription factors potentially control E-selectin expression in the bone marrow vascular niche in mice. Blood Adv. 2018 Mar 13;2(5):509-515. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 581.3±45.0 °C at 760 mmHg |
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| Melting Point | 198-199℃ |
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| Molecular Formula | C15H12N2OS2 |
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| Molecular Weight | 300.399 |
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| Flash Point | 305.4±28.7 °C |
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| Exact Mass | 300.039093 |
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| PSA | 109.52000 |
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| LogP | 3.07 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.738 |
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| InChIKey | QQGWEXFLMJGCAL-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 |
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| Storage condition | Store at +4°C |
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Safety Information
Synonyms
| Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-methylphenyl)thio]- |
| hms3269o07 |
| 4-[(4-Methylphenyl)sulfanyl]thieno[2,3-c]pyridine-2-carboxamide |
| unii-tp7tb1sszd |
