S(-)-Bay k 8644
Basic information
- CAS
98625-26-4- Standard SMILES
COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F- InChIKey
ZFLWDHHVRRZMEI-ZDUSSCGKSA-N- Molecular formula
- C16H15F3N2O4
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.09839145
Overview
(S)-Bay-K-8644 is a methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration. It is an enantiomer of a (R)-Bay-K-8644.
Names & identifiers
- Preferred name
- S(-)-Bay k 8644
- IUPAC
- methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
- English name
- S(-)-BAY K 8644
- Molecular formula
- C16H15F3N2O4
- Molecular weight
- 356.3
Names & synonyms
S(-)-BAY K 8644(-)-(S)-Bay K 8644RefChem:884073635-537-598625-26-4(S)-(-)-BAY K 8644methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate(S)-(-)-Bay-K-8644Bay-K-8644 (S)-(-)-(S)-Bay-K-8644Bay-K-8644 ((S)-(-)-)(-)-(S)-BayK8644
Show more names
R-5417BAY-r-5417(S)-(?)-Bay K8644(S)-(-)-Bay-K-8644, 10 mM in DMSOS(-)-BAY K 8644 CA2+ CHANNEL ACTIVATOBay-K-8644 (S)-(-)-[(S)-(-)-Bay-K-8644Ca channels,Inhibitor,(S) ( ) Bay K 8644,inhibit,(S)()BayK8644,Calcium Channel,Ca2+ channels
(S)-(-)-Bay K8644(S)-BayK8644CHEBI:93962DTXSID50424954(-)-Bay K8644Methyl (S)-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxylateBay-K-8644(S)-(-)-BAY-K-8644-(s)-(-)
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: slightly soluble
- form
- solid
- color
- yellow
- Water Solubility
- 2 O: · H2O: slightly solubleethanol: soluble (Organic solutions are stable for at least 20 days at RT.)
- InChI
- 1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1
- InChIKey
- ZFLWDHHVRRZMEI-ZDUSSCGKSA-N
- SMILES
- COC(=O)C1=C(C)NC(C)=C([C@H]1c2ccccc2C(F)(F)F)[N+]([O-])=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses(S)-(-)-Bay K8644 has been used as a L-type calcium channel (LTCC) agonist in the suprachiasmatic nucleus (SCN) slices. It has also been used as a LTCC agonist to induce arrhythmiain rats.
General Description(S)-(-)-Bay K8644, a dihydropyridine compound is a Ca2+channel activator. It is an enantiomer of Bay K 8644.
Additional notes
DefinitionChEBI: (S)-Bay-K-8644 is a methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration. It is an enantiomer of a (R)-Bay-K-8644.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…