| Identification | Back Directory | [Name]
Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- | [CAS]
1997321-20-6 | [Synonyms]
Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- | [Molecular Formula]
C17H21N5O2 | [MOL File]
1997321-20-6.mol | [Molecular Weight]
327.39 |
| Chemical Properties | Back Directory | [Boiling point ]
627.2±55.0 °C(Predicted) | [density ]
1.276±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : ≥ 125 mg/mL (381.82 mM) | [form ]
Solid | [pka]
8.82±0.51(Predicted) | [color ]
Light yellow to yellow | [InChI]
InChI=1/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/s3 | [InChIKey]
FHRKRGDHMCCDEO-LBPXTSNRNA-N | [SMILES]
NC1N=NC(C2C=CC=CC=2O)=CC=1N1CCN(C(=O)C)[C@H](C)C1 |&1:21,r| |
| Hazard Information | Back Directory | [Uses]
GNE-064 (compound 5) is a selective, orally active and highly soluble inhibitor of SMARCA4, SMARCA2 and PBRM1 bromodomains 5. GNE-064 inhibits SMARCA4 with an IC50 of 0.035 μM and inhibits SMARCA2 with an EC50 of 0.10 μM. GNE-064 possess Kds with 0.01, 0.016, 0.018 and 0.049 μM for SMARCA4, SMARCA2, PBRM1 bromodomains 5 and PBRM1 bromodomains 2, repectively. GNE-064 can be used as a chemical probe for the research of agent synthesis[1]. | [in vivo]
GNE-064 (compound 5) (0.5 and 1.0 mg/kg; i.v. and p.o. once ) exibits ideal pharmacokinetics value in female CD-1 mice [1]. | Animal Model: | Female CD-1 mice[1] | | Dosage: | 0.5 mg/kg (i.v.) and 1.0 mg/kg (p.o.) | | Administration: | Intravenous injection and oral gavage; 0.5 mg/kg and 1.0 mg/kg once | | Result: | Showed a low unbound plasma clearance with 16 mL/min/kg, a reasonable half-life of 1.1 h and good oral bioavailability of 59%. |
| [storage]
Store at -20°C | [References]
[1] Taylor AM, et al. GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. J Med Chem. 2022 Aug 5. DOI:10.1021/acs.jmedchem.2c00662 |
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