SMI-4a
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Basic information
- CAS
327033-36-3- Standard SMILES
O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)S1- InChIKey
NGJLOFCOEOHFKQ-VMPITWQZSA-N- Molecular formula
- C11H6F3NO2S
- Average molar mass
- 273.23 g/mol
Names & identifiers
- Preferred name
- SMI-4a
- English name
- SMI-4a
- Molecular formula
- C11H6F3NO2S
- Molecular weight
- 273.23
Names & synonyms
SMI-4qCS-627SMI-4a ≥95%(NMR)2 Kinase Inhibitor VPIM1/2 Kinase Inhibitor VTCS-PIM-1-4a, 10 mM in DMSO5-(3-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione2,4-Thiazolidinedione, 5-[[3-(trifluoromethyl)phenyl]methylene]-SMI-4a5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione
Database identifiers
- CAS
327033-36-3- PubChem CID
- 1361332
- ChEMBL
CHEMBL4303289- EC Number
- 978-938-3
Properties
Physicochemical properties
- Melting point
- 181 · 181-183℃ (methanol )
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 9.4 mg/mL · ≥ 9.4mg/mL in DMSO
- form
- White to off-white solid.
- pka
- 7.26 · 7.26±0.20(Predicted)
- color
- light beige
- InChI
- 1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5+
- InChIKey
- NGJLOFCOEOHFKQ-VMPITWQZSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36-43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 2 · WGK 2
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 2
- risk_code
- 36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSMI-4a is an inhibitor of Pim-1 and Pim-2.
Suppliers
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Related reactions
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Compound notes
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