| Identification | Back Directory | [Name]
(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one | [CAS]
2381037-82-5 | [Synonyms]
Cpd 561
RBN-2397
(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one
3(2H)-Pyridazinone, 5-[[(1S)-1-methyl-2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]propoxy]ethyl]amino]-4-(trifluoromethyl)- | [Molecular Formula]
C20H23F6N7O3 | [MDL Number]
MFCD32701939 | [MOL File]
2381037-82-5.mol | [Molecular Weight]
523.43 |
| Chemical Properties | Back Directory | [density ]
1.53±0.1 g/cm3(Predicted) | [solubility ]
DMSO:200.0(Max Conc. mg/mL);382.1(Max Conc. mM) | [form ]
A crystalline solid | [pka]
9.56±0.60(Predicted) | [color ]
White to off-white | [InChIKey]
UQZCQKXJAXKZQH-LBPRGKRZSA-N | [SMILES]
C1(=O)NN=CC(N[C@@H](C)COCCC(=O)N2CCN(C3=NC=C(C(F)(F)F)C=N3)CC2)=C1C(F)(F)F |
| Hazard Information | Back Directory | [Uses]
RBN-2397 can be prepared as a PARP7 inhibitor, which is useful for treating cancer. | [in vivo]
RBN-2397 (oral administration; 3-100 mg/kg; once daily; 24-32 days) induces tumor-specific adaptive immune memory in CT26 syngeneic model with durable complete responses in CT26 tumor-bearing BALB/c mice[2].RBN-2397 (oral administration; 3-100 mg/kg; once daily; 32 days) causes complete regressions at the dose 100 mg/kg and exerts a dose-dependent effects on tumor growth at dose levels of ≥30 mg/kg[2].The half-life (t1/2) of RBN-2397 in vivo is 325 mins[2]. | Animal Model: | CB17 SCID mice with NCI-H1373 xenografts[2] | | Dosage: | 3 mg/kg, 10mg/kg, 30 mg/kg, 100 mg/kg | | Administration: | Oral administration; once daily; 24-32 days | | Result: | Decreased tumor volume and exerted anti-tumor effects. |
| [IC 50]
PARP-7: 3 nM (IC50); PARP-7: 1 nM (Kd) |
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