Compound Summary
Compound Information
72596-74-8
Compound Name: | 72596-74-8 |
Compound CID: | 6603967 |
Synonyms: | 72596-74-8 PD-404182 PD 404182 PD 404,182 UNII-3PYK7K517E More... |
Iupac Name: | 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine |
InChI: | InChI=1S/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2 |
InChIKey: | JNENSSREQFBZGT-UHFFFAOYSA-N |
Canonical Smiles: | C1CN=C2C3=CC=CC=C3SC(=N)N2C1 |
Isomeric Smiles: | C1CN=C2C3=CC=CC=C3SC(=N)N2C1 |
Molecular Weight: | 217.29 |
Molecular Formula: | C11H11N3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
72596-74-8
Molecular Weight: | 217.29 |
Molecular Formula: | C11H11N3S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 15 |
Complexity: | 313 |
Synonyms
72596-74-8
| 72596-74-8 | 72596-74-8 |
|---|---|
72596-74-8 |
PD-404182 |
PD 404182 |
PD 404,182 |
UNII-3PYK7K517E |
3,4-dihydro-2H-pyrimido1,2-c1,3benzothiazin-6-imine |
3PYK7K517E |
3,4-Dihydro-2H,6H-benzoepyrimido1,2-c1,3thiazin-6-imine |
3,4-Dihydro-2H,6H-pyrimido1,2-c1,3benzothiazin-6-imine |
NCGC00015809-01 |
Lopac-P-2742 |
Lopac0_000947 |
CHEMBL595227 |
SCHEMBL4097420 |
AOB5965 |
DTXSID00424969 |
BCP30232 |
ZINC3993826 |
2H,6H-Pyrimido(1,2-C)(1,3)benzothiazin-6-imine, 3,4-dihydro- |
AKOS025293487 |
CCG-205028 |
NCGC00015809-02 |
NCGC00015809-03 |
NCGC00094251-01 |
NCGC00094251-02 |
HY-16958 |
PD404182 |
CS-0013040 |
EU-0100947 |
P 2742 |
PD 404,182, >=98% (HPLC) |
SR-01000076065 |
SR-01000076065-1 |
BRD-K14798637-001-01-7 |
Q27257879 |
PD 404,182;PD 404182; PD404182 |
Experimental Data
72596-74-8
| 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
72596-74-8
Statistics Data
72596-74-8
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
72596-74-8
