SB 243213
Basic information
- CAS
200940-22-3- Standard SMILES
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2- InChIKey
ZETBBVYSBABLHL-UHFFFAOYSA-N- Molecular formula
- C22H19F3N4O2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.14601035
Overview
SB 243213 is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- SB 243213
- IUPAC
- 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
- English name
- 1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-
- Molecular formula
- C22H19F3N4O2
- Molecular weight
- 428.41
Names & synonyms
SB 2432135-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]-6-(trifluoromethyl)indoline-1-carboxamide5-methyl-N-(6-((2-methyl-3-pyridyl)oxy)-3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamideRefChem:9313405-methyl-1-((2-((2-methyl-3-pyridyl)oxy)pyridyl)carbamoyl)-6-trifluoromethylindoline200940-22-3SB-2432135-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamideR6MR8DB4PZ5-methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamideSB-243213 free baseCHEMBL14460
Show more names
1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-
MFCD199811311H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)-6-(trifluoromethyl)-SB-243213 dihydrochloride5-Methyl-1-((-2-((2-methyl-3-pyridyl)oxy)-5-pyridyl)carbamoyl)-6-trifluoromethylindoline5-Methyl-N-(6-((2-methylpyridin-3-yl)oxy)pyridin-3-yl)-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamide5-Methyl-n-(6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl)-6-(trifluoromethyl)-2,3-dihydro-1h-indole-1-carboxamideAC1L9EKTSB243213
Database identifiers
- CAS
200940-22-3- PubChem CID
- 443391
- DTXSID
DTXSID0047323- ChEMBL
CHEMBL14460- ChEBI
CHEBI:8980- UNII
- R6MR8DB4PZ
- Nikkaji
- J1.079.946E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Experimental & physicochemical properties
Collision Cross Section214.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5047322]
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- color
- White to off-white
- FDA UNII
- 6 MR8DB4PZ · R6MR8DB4PZ
Chemistry & industry
Applications
UsesSB 243213 is an orally active, selective and high-affinity 5-HT2C receptor antagonist with a pKi of 9.37 and a pKb of 9.8 for human 5-HT2C receptor. SB 243213 shows greater than a 100-fold selectivity over a wide range of neurotransmitter receptors, enzymes and ion channels. SB 243213 has improved anxiolytic profile and has the potential for schizophrenia and motor disorders[1].
Additional notes
DefinitionChEBI: SB 243213 is an indolyl carboxylic acid.
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