Basic information
- CAS
851305-26-5- Standard SMILES
C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S- InChIKey
YAIFLEPRFXXIFQ-PTNGSMBKSA-N- Molecular formula
- C17H13NO2S2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.038771
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 5-((5-phenyl-2-furanyl)methylene)-3-(2-propen-1-yl)-2-thioxo-, (5Z)-
- IUPAC
- (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- Molecular formula
- C17H13NO2S2
- Molecular weight
- 327.42
Names & synonyms
851305-26-5LJ-001LJ001LJ 001(Z)-3-allyl-5-((5-phenylfuran-2-yl)methylene)-2-thioxothiazolidin-4-one(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one4-Thiazolidinone, 5-((5-phenyl-2-furanyl)methylene)-3-(2-propen-1-yl)-2-thioxo-, (5Z)-8646IPJ1AP4-Thiazolidinone, 5-[(5-phenyl-2-furanyl)methylene]-3-(2-propen-1-yl)-2-thioxo-, (5Z)-UNII-8646IPJ1APrhodanine, 1-13CHEMBL243293
Show more names
LJ 001 (LJ001
orb1696427SCHEMBL3126558BDBM33312C17H13NO2S2DTXSID101028056LJ-001, 10 mM in DMSO(LJ001AKOS040752618
Database identifiers
- CAS
851305-26-5- PubChem CID
- 2272467
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 477.3 · 477.3±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -2.83 · -2.83±0.20(Predicted)
- form
- Solid
- color
- Yellow to orange
- FDA UNII
- 8646 IPJ1AP · 8646IPJ1AP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesLJ001 is a broad-spectrum and orally active antiviral agent. LJ001 exerts antiviral activities by binding to viral membranes. LJ001 inhibits TGEV and PDCoV infection. LJ001 decreases TGEV N and PDCoV N-protein expression[1][2].
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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