Description
Key facts
CAS number:249889-64-3,
Purity:>99%,
Form:SolidSee storage information,
Molecular weight:319.32 Da,
Molecular formula:C17H13N5O2,
PubChem:6604926,
Nature:Synthetic,
Solubility:Soluble in ethanol to 10 mMSoluble in DMSO to 100 mM,
Biochemical name:1-(2-Methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea,
Biological description:Selective OX1 receptor antagonist. Inhibits orexin-A induced intracellular calcium release (IC50 = 226 nM). Shows anxiolytic, sedative and anorectic effects *in vivo.*,
Canonical smiles:CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4,
InChi:InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23),
InChiKey:AKMNUCBQGHFICM-UHFFFAOYSA-N,
IUPAC Name:1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
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-Store under desiccating conditions, The product can be stored for up to 12 months
Supplementary Information:
This supplementary information is collated from multiple sources and compiled automatically.
The TDP1 protein also known as Tyrosyl-DNA Phosphodiesterase 1 plays a significant role in DNA repair by resolving DNA damage. This enzyme with a molecular mass of approximately 68 kDa is present in various tissues including the brain and peripheral tissues. Another target CYP2D6 an important enzyme in drug metabolism has a molecular mass of about 50 kDa and is predominantly found in the liver. In contrast Adenosine Receptor A2a a G protein-coupled receptor is distributed in the brain and blood vessels. The serotonin receptors 5-HT-2B and 5-HT2C also G-protein coupled reside in the central nervous system. Orexin Receptors 1 and 2 known as Ox-1-R and Ox-2-R respectively have an important presence in the brain particularly in the hypothalamus actively influencing wakefulness and appetite.
Biological function summary
The TDP1 enzyme helps maintain genomic integrity by repairing topoisomerase-induced DNA strand breaks and is not part of a larger complex. CYP2D6 significantly contributes to the metabolism of therapeutic drugs and toxins activating prodrugs into active compounds. The Adenosine Receptor A2a primarily mediates vasodilation and neuronal signaling often interacting with dopamine receptors. 5-HT-2B and 5-HT2C receptors modulate neurotransmitter release impacting mood and cognition. Orexin Receptors 1 and 2 critical for sleep regulation and feeding behavior interact with neuropeptides that control arousal and energy balance.
Pathways
TDP1 participates in the DNA repair pathway importantly counteracting damage due to DNA topoisomerase 1. This maintenance of DNA integrity aligns with proteins like PARP1 involved in the repair of single-strand breaks. CYP2D6 figures prominently in the xenobiotic metabolism pathway processing a wide array of exogenous substances alongside other cytochrome P450 enzymes. The Adenosine Receptor A2a is part of the cAMP signaling pathway interacting with important proteins like G-proteins to regulate various physiological processes. Serotonin receptor 5-HT-2B is associated with the serotonin signaling pathway interconnected with proteins modulating synaptic transmission. Orexin Receptors 1 and 2 are integral to the orexin/hypocretin pathway interacting with various signaling proteins to maintain energy homeostasis.
TDP1 mutations associate with neurodegenerative diseases like spinocerebellar ataxia with axonal neuropathy (SCAN1) where DNA repair deficiencies manifest. PARP1 closely involved with TDP1 similarly associates with neurodegenerative conditions. Abnormal CYP2D6 activity results in varied drug metabolism linking it to disorders like depression and treatment-related adverse drug reactions. The Adenosine Receptor A2a has associations with Parkinson's disease impacting dopaminergic neurotransmission. In the realm of mood disorders the dysregulation of 5-HT2C receptors reveals a connection with obesity and type 2 diabetes highlighting its role in psychiatric conditions. Orexin Receptors 1 and 2 present connections to sleep disorders like narcolepsy impacting neuromodulators that regulate sleep-wake cycles.
