| 融点 |
187-189°C |
| 比重(密度) |
1.39±0.1 g/cm3(Predicted) |
| 闪点 |
9℃ |
| 貯蔵温度 |
Sealed in dry,Store in freezer, under -20°C |
| 溶解性 |
DMSO (Slightly), Methanol (Slightly) |
| 外見 |
Solid |
| 酸解離定数(Pka) |
pKa 8.7 (Uncertain) |
| 色 |
White to Off-White |
| Henry's Law Constant |
1.4×1015 mol/(m3Pa) at 25℃, HSDB (2015) |
| 主な用途 |
pharmaceutical (small molecule) |
| InChI |
1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
| InChIKey |
BNRNXUUZRGQAQC-UHFFFAOYSA-N |
| SMILES |
O=C1NC(C2=C(OCC)C=CC(S(=O)(N3CCN(C)CC3)=O)=C2)=NC4=C1N(C)N=C4CCC |
| CAS データベース |
139755-83-2(CAS DataBase Reference) |
| EPAの化学物質情報 |
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl- (139755-83-2) |
