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315703-52-7 molecular structure
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2-[(4-ethoxyphenyl)methyl]-4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazole

ChemBase ID: 154758
Molecular Formular: C20H19N3OS
Molecular Mass: 349.44936
Monoisotopic Mass: 349.12488324
SMILES and InChIs

SMILES:
CCOc1ccc(cc1)Cc1nc(cs1)c1c(nc2n1cccc2)C
Canonical SMILES:
CCOc1ccc(cc1)Cc1scc(n1)c1c(C)nc2n1cccc2
InChI:
InChI=1S/C20H19N3OS/c1-3-24-16-9-7-15(8-10-16)12-19-22-17(13-25-19)20-14(2)21-18-6-4-5-11-23(18)20/h4-11,13H,3,12H2,1-2H3
InChIKey:
CBKFVRMNQUKWPX-UHFFFAOYSA-N

Cite this record

CBID:154758 http://www.chembase.cn/molecule-154758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-ethoxyphenyl)methyl]-4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazole
IUPAC Traditional name
2-[(4-ethoxyphenyl)methyl]-4-{2-methylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazole
Synonyms
N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-thiazolamine
JK184
CAS Number
315703-52-7
PubChem SID
162248896
PubChem CID
71311961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
J4205 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4359038  LogD (pH = 7.4) 3.6555946 
Log P 3.6593304  Molar Refractivity 100.7524 cm3
Polarizability 39.49043 Å3 Polar Surface Area 39.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: ≥20 mg/mL expand Show data source
Apperance
off-white to light brown powder expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-41 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Storage Temperature
room temp expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C19H18N4OS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - J4205 external link
Biochem/physiol Actions
JK184 is a Hedgehog signaling pathway antagonist. JK184 blocks sonic hedgehog induced Gli transcription with an IC50 of 30 nM, and disrupts hedgehog signalling by inhibition of alcohol dehydrogenase 7 and depolymerization of mirotubules.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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