Compound Summary
Compound Information
MRS 1845
Compound Name: | MRS 1845 |
Compound CID: | 11538542 |
Synonyms: | MRS 1845 544478-19-5 N-Propargylnitrendipene MRS1845 MRS-1845 More... |
Iupac Name: | 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate |
InChI: | InChI=1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3 |
InChIKey: | BITHABUTZRAUGT-UHFFFAOYSA-N |
Canonical Smiles: | CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C |
Isomeric Smiles: | CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C |
Molecular Weight: | 398.4 |
Molecular Formula: | C21H22N2O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MRS 1845
Molecular Weight: | 398.4 |
Molecular Formula: | C21H22N2O6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 29 |
Complexity: | 798 |
Synonyms
MRS 1845
| MRS 1845 | MRS 1845 |
|---|---|
MRS 1845 |
544478-19-5 |
N-Propargylnitrendipene |
MRS1845 |
MRS-1845 |
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate |
N-Propylargylnitrendipine |
Lopac0_000763 |
MLS002172491 |
SCHEMBL8226144 |
CHEMBL1256776 |
DTXSID50468257 |
HMS2233N15 |
HMS3373I13 |
HMS3412L14 |
HMS3676L14 |
EX-A3590 |
MFCD06798381 |
AKOS024456822 |
CCG-204848 |
LP00763 |
SDCCGSBI-0050741.P002 |
NCGC00015650-02 |
NCGC00015650-03 |
NCGC00015650-04 |
NCGC00094103-01 |
NCGC00094103-02 |
SMR001254114 |
HY-103310 |
CS-0027573 |
EU-0100763 |
MRS 1845, >=95% (HPLC), solid |
X4589 |
M 1692 |
N16872 |
SR-01000076221 |
SR-01000076221-1 |
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propynyl)-3,5-pyridinedicarboxylic acid ethyl, methyl ester |
Experimental Data
MRS 1845
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
MRS 1845
Statistics Data
MRS 1845
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
MRS 1845
