| Identification | Back Directory | [Name]
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione | [CAS]
1104546-89-5 | [Synonyms]
RT-017290
BYK 204165
PARP Inhibitor XIV
BYK204165 >=98% (HPLC)
4-(1-methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinolin-1,3-dione
4-(1-Methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinoline-1,3-dione
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione
1,3(2H,4H)-Isoquinolinedione, 4-[(1-methyl-1H-pyrrol-2-yl)methylene]- | [Molecular Formula]
C15H12N2O2 | [MDL Number]
MFCD12912397 | [MOL File]
1104546-89-5.mol | [Molecular Weight]
252.27 |
| Chemical Properties | Back Directory | [Boiling point ]
492.5±45.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: >20mg/mL | [form ]
powder | [pka]
9.30±0.20(Predicted) | [color ]
yellow | [InChI]
1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9- | [InChIKey]
BTYSIDSTHDDAJW-LCYFTJDESA-N | [SMILES]
Cn1cccc1\C=C2/C(=O)NC(=O)c3ccccc23 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
43 | [Safety Statements ]
36/37 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Skin Sens. 1 |
| Hazard Information | Back Directory | [Uses]
BYK 204165 is an inhibitor of the poly(ADP-?ribose) polymerase (PARP), and it is 100-fold more selective for PARP-1. | [Biochem/physiol Actions]
BYK204165 is a potent and selective inhibitor of poly(ADP-ribose) polymerase 1 (PARP1). It is 100-fold selective for PARP-1 over PARP-2. | [in vivo]
BYK204165 is not investigated in vivo because of its short half-time (t1/2) of 23 min measured at rat microsomes in vitro[1]. | [IC 50]
hPARP-1: 7.35 (pIC50); mPARP-2: 5.38 (pIC50) |
|
| Company Name: |
BOC Sciences
|
| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|