SEL120-34A HCl
Basic information
- CAS
1609452-30-3- Standard SMILES
Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2.Cl- InChIKey
GQXLWUCQESKBSC-UHFFFAOYSA-N- Molecular formula
- C15H19Br2ClN4
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 447.9665
Overview
Romaciclib Hydrochloride is the hydrochloride salt form of romaciclib, an orally bioavailable inhibitor of cyclin-dependent kinases 8 and 19 (CDK8/19), with potential antineoplastic and chemoprotective activities. Upon oral administration, romaciclib targets, binds to and inhibits the activity of CDK8/19, which prevents activation of CDK8/19-mediated oncogenic signaling pathways, blocks selective transcription of various tumor-promoting genes, and inhibits proliferation of CDK8/19-overexpressing tumor cells. CDK8/19, serine/threonine kinases involved in the regulation of the cell cycle, are overexpressed in certain cancer cell types and play key roles in tumor cell proliferation.
Names & identifiers
- Preferred name
- SEL120-34A HCl
- IUPAC
- 6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
- English name
- 7,8-dibromo-9-methyl-2-(piperazin-1-yl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline hydrochloride
- Molecular formula
- C15H19Br2ClN4
- Molecular weight
- 450.59916
Names & synonyms
1609452-30-3SEL120-34A HCl7,8-Dibromo-9-methyl-2-(piperazin-1-yl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline hydrochlorideSEL120-34A hydrochlorideSEL-120SEL1202443816-41-7SDM3M518PJSE-120-34ARomaciclib monohydrochlorideUNII-SDM3M518PJSEL120-34A (monohydrochloride)
Show more names
SEL120(SEL120-34RomaciclibhydrochlorideSEL120(SEL120-34A) hydrochloride7,8-Dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-4H-imidazo[4,5,1-ij]quinolinehydrochlorideSEL12034A HCl,SEL120-34A HCl,CDK,SEL-120-34A HCl,Inhibitor,SEL120 34A HCl,Cyclin dependent kinase,inhibit
7,8-Dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-4himidazo(4,5,1-ij)quinoline hydrochloride4H-Imidazo(4,5,1-ij)quinoline, 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-, hydrochloride (1:1)7,8-Dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-4H-imidazo[4,5,1-ij]quinoline hydrochlorideCDK8-IN-2Romaciclib HCl7,8-Dibromo-9-methyl-2-(piperazin-1-yl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline monohydrochloride7,8-Dibromo-9-methyl-2-piperazin-1-yl-5,6-dihydro-4H- imidazo[4,5,1-ij]quinoline HydrochlorideSEL120 (SEL120-34A) hydrochloride
Database identifiers
- CAS
1609452-30-3- PubChem CID
- 73776232
- ChEMBL
CHEMBL4578881- UNII
- SDM3M518PJ
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 31.75 · DMSO:31.75(Max Conc. mg/mL);70.46(Max Conc. mM)Water:90.0(Max Conc. mg/mL);199.73(Max Conc. mM)
- form
- A solid
- color
- White to off-white
- FDA UNII
- 3 M518PJ · SDM3M518PJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesSEL120-34A hydrochloride is a potent, selective, orally available, ATP-competitive CDK8 inhibitor, with IC50s of 4.4 nM and 10.4 nM for CDK8/CycC and CDK19/CycC, respectively, with antitumor activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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