Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]-
![Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- Structure](CAS/20211123/GIF/1997321-20-6.gif)
- CAS No.
- 1997321-20-6
- Chemical Name:
- Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]-
- Synonyms
- GNE-064, 10 mM in DMSO;Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]-
- CBNumber:
- CB211920254
- Molecular Formula:
- C17H21N5O2
- Molecular Weight:
- 327.39
- MDL Number:
- MOL File:
- 1997321-20-6.mol
| 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) |
| pka | 8.82±0.51(Predicted) |
| form | Solid |
| 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| |
Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- Chemical Properties,Uses,Production
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%. |
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
Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- Preparation Products And Raw materials
Raw materials
Preparation Products
Ethanone, 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-2-methyl-1-piperazinyl]- Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Aladdin Scientific | tp@aladdinsci.com | United States | 52924 | 58 | |
| Suzhou youruike Chemical Pharmaceutical Technology Co., Ltd | 15317229551 | 15151849396@163.com | China | 997 | 58 |
| Shanghai Beckham Medical Technology Co., Ltd | 021-13816613772 13816613772 | huahero21@sina.com | China | 2037 | 55 |
| TargetMol Chemicals Inc. | 4008200310 | marketing@tsbiochem.com | China | 24989 | 58 |
| Shanghai Yifei Biotechnology Co. , Ltd. | 021-65675885 18964387627 | customer_service@efebio.com | China | 11973 | 58 |
| RD International Technology Co., Limited | 18024082417 | market@ubiochem.com | China | 9835 | 58 |
| Sangon Biotech (Shanghai) Co.,Ltd. | 400-821-026 | Sales@sangon.com | China | 6710 | 58 |
