CGS 12066B-parent

HCID 2689
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Basic information

CAS
109028-09-3
Standard SMILES
CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1
InChIKey
LXFHSCDLMBZYKY-UHFFFAOYSA-N
Molecular formula
C17H17F3N4
Average molar mass
334.34 g/mol
Monoisotopic mass
334.1405312

Overview

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is a pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. It has a role as a serotonergic agonist. It is an organofluorine compound, a N-arylpiperazine and a pyrroloquinoxaline.

Names & identifiers

Preferred name
CGS 12066B-parent
IUPAC
4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
English name
7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt
Molecular formula
C17H17F3N4
Molecular weight
334.34

Names & synonyms

CGS 12066B-parentCgs 12066CGS-120665TB4SXQ7HGCGS12066J336.559JPyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-RefChem:918326109028-09-34-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalineCHEMBL27403
Show more names
CGS-12066A maleate salt7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline7-(Trifluoromethyl)-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalinePyrrolo[1,2-a]quinoxaline,4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-
7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt109028-10-6UNII-5TB4SXQ7HGNCGC00024701-01Tocris-06387-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate saltLopac-C-106Biomol-NT_000089

Database identifiers

CAS
109028-09-3
PubChem CID
2689
DTXSID
DTXSID3043730
ChEMBL
CHEMBL27403
ChEBI
CHEBI:64055
UNII
5TB4SXQ7HG
Nikkaji
J336.559J

Properties

Computed structural properties

XLogP
4
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
24

Physicochemical properties

Melting point
211 · 211 - 214°C
Boiling point
419.3 · 419.3±45.0 °C(Predicted)
Density
1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
7.27 · 7.27±0.42(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.

Applications

UsesCGS-12066A Maleate Salt displays 5-HT1 activity in mammals affecting mood involved with serotonin regulation.

Suppliers4 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is a pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. It has a role as a serotonergic agonist. It is a N-arylpiperazine, an organofluorine compound and a pyrroloquinoxaline.

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