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A 205804

A 205804 structure

CAS No:
251992-66-2
Formula:
C15H12N2OS2
Chemical Name:
A 205804
Synonyms:
A 205804;4-[(4-Methylphenyl)thio]thieno[2,3-c]pyridine-2-carboxamide;A 205804,4-[(4-Methylphenyl)thio]thieno[2,3-c]pyridine-2-carboxaMide;IKK-16 (IKK Inhibitor VII);4-(p-tolylthio)thieno[2,3-c]pyridine-2-carboxamide;Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-methylphenyl)thio]-;4-[(4-Methylphenyl)thio]thieno[2,3-c]pyridine-2-carboxamideA-205804
Categories:
Biochemical Engineering > Inhibitors

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].

4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamide is an aryl sulfide.

A 205804 Basic Attributes

Molecular Weight：

300.405

Exact Mass：

300.039093

UNII：

TP7TB1SSZD

DSSTox ID：

DTXSID80179864

Characteristics

PSA：

110

XLogP3：

3.5

Density：

1.4±0.1 g/cm3

Melting Point：

198-199℃

Boiling Point：

581.348°C at 760 mmHg

Flash Point：

305.4±28.7 °C

Refractive Index：

1.738

Storage Conditions：

Store at +4°C

Computed Properties

Molecular Weight:300.4
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:300.03910536
Monoisotopic Mass:300.03910536
Topological Polar Surface Area:110
Heavy Atom Count:20
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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A 205804

CAS No.: 251992-66-2

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