Description
Key facts
CAS number:69308-37-8,
Purity:>98%,
Form:SolidSee storage information,
Molecular weight:213.66 Da,
Molecular formula:C10H12ClNO2,
PubChem:44602,
Nature:Synthetic,
Biochemical name:Arbaclofen,
Biological description:More active enantiomer of selective GABAB agonist (R,S)-Baclofen (ab120149). Soluble in 1 ml water to give specified mM/ml concentration.,
Canonical smiles:C1=CC(=CC=C1C(CC(=O)O)CN)Cl,
Isomeric smiles:C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl,
InChi:InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1,
InChiKey:KPYSYYIEGFHWSV-QMMMGPOBSA-N,
IUPAC Name:(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions-Ambient, Appropriate long-term storage conditions-Ambient, Storage information-The product can be stored for up to 12 months
Supplementary Information:
This supplementary information is collated from multiple sources and compiled automatically.
CYP2D6 also known as Cytochrome P450 2D6 is a highly studied enzyme with diverse roles in drug metabolism. It has a molecular mass of approximately 55 kDa. This enzyme is mainly found in the liver but also shows expression in the brain and other tissues. CYP2D6 is one of the cytochrome P450 proteins which includes CYP2C8 CYP2C9 CYP2C19 and CYP2C12. Another relevant target in this context is the GABA B Receptor 2 also referred to as GABBR2 which partners with GABA B Receptor 1. These receptors are expressed in the central nervous system and are important for GABAergic neurotransmission.
Biological function summary
Enzymes like CYP2D6 play an important role in metabolizing around 25% of prescription drugs which includes the processing of antidepressants antipsychotics and beta-blockers. CYP2D6 functions as part of the cytochrome P450 complex which catalyzes the oxidation of organic substances. The GABA B Receptor 2 and 1 form a heterodimeric complex on neuronal cells which mediate slow synaptic transmission through GABA the primary inhibitory neurotransmitter in the CNS. Compounds such as baclofen a known GABA B agonist interact with these receptors to produce muscle relaxant and antispastic effects. Understanding the baclofen structure and its interaction with receptors helps in drug design and application.
Pathways
CYP2D6 is an important player in the metabolism of xenobiotics affecting the pharmacokinetics of many drugs through the oxidation pathway. It interacts with CYP3A4 in the Phase I metabolism pathway further modulating drug activity and clearance. In the context of neurotransmission pathways the GABA B Receptor 2 along with GABA B Receptor 1 modulates neural excitability and calcium channel activity. These actions link it indirectly to pathways involving neurotransmitter release and receptor signaling playing a role in inhibitory synaptic transmission.
CYP2D6 variations are linked with altered drug metabolism impacting treatment outcomes for psychiatric and cardiovascular diseases. Poor metabolizer phenotypes of CYP2D6 can lead to adverse drug reactions and reduced efficacy. The GABA B Receptor 2 and 1 couple because their imbalance has been linked with neurological disorders such as epilepsy and spasticity. In these disorders baclofen’s role as a GABA B agonist is important for therapeutic interventions highlighting its structure-function relationship in modulating receptor response.
