SB 228357
Basic information
- CAS
181629-93-6- Standard SMILES
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2- InChIKey
RRJLJKRFFRZRAF-UHFFFAOYSA-N- Molecular formula
- C22H17F4N3O2
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.12568944
Overview
SB 228357 is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- SB 228357
- IUPAC
- N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
- English name
- N-[3-Fluoro-5-(3-pyrindyl)phenyl]-2,3-dihydro-5-methoxy-6-(trifluoromethyl)-1H-indole-1-carboxamide
- Molecular formula
- C22H17F4N3O2
- Molecular weight
- 431.38
Names & synonyms
181629-93-6SB 228357SB228357SB-228357J1.060.588A5RDN2E8E97N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide1H-Indole-1-carboxamide, N-(3-fluoro-5-(3-pyridinyl)phenyl)-2,3-dihydro-5-methoxy-6-(trifluoromethyl)-DTXSID90426211H-Indole-1-carboxamide, N-[3-fluoro-5-(3-pyridinyl)phenyl]-2,3-dihydro-5-methoxy-6-(trifluoromethyl)-N-[3-fluoro-5-(3-pyridyl)phenyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamideN-(3-fluoro-5-(3-pyridyl)phenyl)-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
Show more names
SB-228357,SB228357SB228357, 10 mM in DMSON-[3-fluoro-5-(3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamideN-[3-Fluoro-5-(3-pyridinyl)phenyl]-2,3-dihydro-5-methoxy-6-(trifluoromethyl)-1H-indole-1-carboxamide
RefChem:931338DTXCID7022621N-(3-Fluoro-5-(pyridin-3-yl)phenyl)-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamideTocris-1375N-(3-(3-Pyridinyl)-5-fluorophenyl)-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamideCHEMBL14276N-[3-FLUORO-5-(3-PYRINDYL)PHENYL]-2,3-DIHYDRO-5-METHOXY-6-(TRIFLUOROMETHYL)-1H-INDOLE-1-CARBOXAMIDESR-01000075936
Database identifiers
- CAS
181629-93-6- PubChem CID
- 443390
- DTXSID
DTXSID9042621- ChEMBL
CHEMBL14276- ChEBI
CHEBI:8979- UNII
- 5RDN2E8E97
- Nikkaji
- J1.060.588A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- Boiling point
- 625.4 · 625.4±55.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 8 mg/mL, · DMSO: ~8 mg/mL, soluble
- form
- solid
- pka
- 9.72 · 9.72±0.70(Predicted)
- color
- white
- FDA UNII
- 5 RDN2E8E97 · 5RDN2E8E97
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesSB 228357 is a SR-2C/SR-2B receptor antagonist. It is used in the treatment of irritable bowel syndrome (IBS).
Additional notes
DefinitionChEBI: SB 228357 is an indolyl carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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