Compound Summary
71145-03-4
Compound Information
71145-03-4
Compound Name: | 71145-03-4 |
Compound CID: | 2303 |
Synonyms: | 71145-03-4 Bay K 8644 (+/-)-BAY K 8644 BAY-K-8644 methyl 2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-1,4-dihydropyridine-3-carboxylate More... |
Iupac Name: | methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate |
InChI: | 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 |
InChIKey: | ZFLWDHHVRRZMEI-UHFFFAOYSA-N |
Canonical Smiles: | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC |
Isomeric Smiles: | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC |
Molecular Weight: | 356.3 |
Molecular Formula: | C16H15F3N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
71145-03-4
Molecular Weight: | 356.3 |
Molecular Formula: | C16H15F3N2O4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 25 |
Complexity: | 634 |
Synonyms
71145-03-4
| 71145-03-4 | 71145-03-4 |
|---|---|
71145-03-4 |
Bay K 8644 |
(+/-)-BAY K 8644 |
BAY-K-8644 |
methyl 2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-1,4-dihydropyridine-3-carboxylate |
BAYK 8644 |
BayK8644 |
Bay K8644 |
C16H15F3N2O4 |
(+/-)-Bay K8644 |
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, methyl ester |
MLS000028858 |
SMR000058424 |
Methyl 2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxylate |
93468-89-4 |
(R)-(+)-Bay-K-8644 |
(S)-(-)-Bay-K-8644 |
1,4-Dihydro-2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-3-pyridinecarboxylic acid, methyl ester |
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-, methyl ester |
SR-01000075305 |
CHEMBL283013 |
BAY K-8644 |
BAY-R 4407 |
R(+)-BAY K 8644 |
Opera_ID_789 |
BAY K 8644 racemate |
CBiol_001744 |
Lopac0_000186 |
BSPBio_001578 |
MLS001148586 |
MLS002153190 |
SCHEMBL133106 |
(y)-Bay K 8644 |
GTPL2511 |
CHEMBL1322959 |
SCHEMBL14612812 |
CHEBI:34555 |
CHEBI:131345 |
BAY-R 5417 |
Bio1_000030 |
Bio1_000519 |
Bio1_001008 |
DTXSID301017346 |
HMS1791O20 |
HMS1989O20 |
HMS2231A11 |
HMS2232B12 |
HMS3260F13 |
HMS3268C13 |
HMS3370M19 |
HMS3371N20 |
HMS3402O20 |
HMS3412J07 |
HMS3676J07 |
HMS3886L19 |
(?)-Bay K 8644 |
AOB33740 |
BCP15942 |
BCP23924 |
BCP24795 |
EX-A3340 |
EX-A4933 |
Tox21_500186 |
BDBM50035800 |
CA-410 |
HSCI1_000381 |
MFCD00036697 |
s7924 |
STL213543 |
AKOS015858973 |
(+/-)-BAYK8644 |
CCG-204281 |
LP00186 |
MCULE-8564076696 |
SDCCGSBI-0050174.P002 |
3-pyridine carboxylic acid methyl ester |
( inverted question mark)-Bay K 8644 |
NCGC00015124-03 |
NCGC00015124-04 |
NCGC00015124-05 |
NCGC00015124-06 |
NCGC00015124-07 |
NCGC00015124-08 |
NCGC00015124-13 |
NCGC00025209-02 |
NCGC00025209-03 |
NCGC00025209-04 |
NCGC00025209-05 |
NCGC00025209-06 |
NCGC00260871-01 |
1,4-Dihydro-2,6-dimethyl-5-nitro-4-2′-(trifluoromethyl)phenyl-3-pyridinecarboxylic Acid Methyl Ester |
AS-16745 |
BB162780 |
SMR001230679 |
(+/-)-BAY K-8644 |
(+/-)-BAY-K-8644 |
NCG-C00025209-02 |
DS-017737 |
SQ 28,873 |
( inverted exclamation markA)-BAY-K-8644 |
AM20080536 |
B-112 |
EU-0100186 |
FT-0742944 |
(+/-)-Bay K8644, calcium channel agonist |
BAY K 8644, (+/-)- |
E77139 |
A837092 |
Q4874027 |
SR-01000075305-1 |
SR-01000075305-3 |
BRD-A05457250-001-03-5 |
BRD-A05457250-001-04-3 |
1,4-Dihydro-2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)-phenyl- |
BAYK 8644; BAYK8644; BAYK-8644;Bay K8644;Bay K 8644 |
Bay-K-8644 ((R)-(+)-); R-4407; NI-105; (+)-BAY-K-8644;R(+)Bay K 8644 |
(4R)-2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester |
(S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid methyl ester |
3-Pyridinecarboxylic acid,1,4-dihydro-2,6-dimethyl-5-nitro-4-2-(trifluoromethyl)phenyl-,methyl ester |
Experimental Data
71145-03-4
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 12.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
71145-03-4
Statistics Data
71145-03-4
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 12.000000000000000 | 1 | 1 |
Statistics Data Visualization
71145-03-4
