Description
Key facts
CAS number:82752-99-6,
Purity:>99%,
Form:SolidSee storage information,
Molecular weight:506.5 Da,
Molecular formula:C25H33Cl2N5O2,
PubChem:54911,
Nature:Synthetic,
Solubility:Soluble in DMSO to 25 mMSoluble in ethanol to 10 mMSoluble in 1 eq. HCl to 10 mM,
Biochemical name:Nefazodone hydrochloride,
Biological description:Potent 5-HT2A receptor antagonist (Ki = 7.1 nM for inhibition of [3H] ketanserin binding in rat cortex). Additionally blocks α1 adrenoceptors (Ki values are 5.5 and 84 nM at α1 and α2, respectively). Acts as a serotonin-norepinephrine-dopamine reuptake inhibitor (SNDRI) (Ki values are 220 and 555 nM at rat SERT and NET, respectively). Antidepressant.,
Canonical smiles:CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl,
InChi:InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H,
InChiKey:DYCKFEBIOUQECE-UHFFFAOYSA-N,
IUPAC Name:2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride
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 biological targets listed are diverse in their mechanical roles. Glucocorticoid Receptor Progesterone Receptor and Estrogen Receptor collectively known as nuclear receptors are involved in regulating gene expression. Expressed widely in various tissues these receptors have masses around 94 kDa 99 kDa and 67 kDa respectively. Gli3 is a transcription factor important in developmental processes with widespread expression noted during embryonic development. The Maxi Potassium channel alpha (SLO) and associated beta subunits (KCNMB1 KCNMB2 KCNMB4 and LRRC26) contribute to large conductance calcium-activated potassium channels in excitable cells. TDP1 plays a role in DNA repair and is localized to the nucleus while Aromatase involved in estrogen synthesis appears mainly in the adrenal glands and gonads. Nrf2 (Nuclear factor erythroid 2-related factor 2) acts as a transcription factor for antioxidant response. The Androgen Receptor similar to other nuclear receptors plays a role in transcription regulation within tissues like prostate and muscle.
Biological function summary
These proteins and receptors participate in key physiological processes. Nuclear receptors like the Glucocorticoid Progesterone and Estrogen Receptors regulate reproduction metabolism and immune response by controlling the expression of target genes. The Androgen Receptor interact structurally with coactivators within the nucleus to mediate their effects. Aromatase facilitates estrogen biosynthesis impacting reproductive tissues and bone integrity. Gli3 influences the formation of limbs and organs by regulating Hedgehog signaling. Maxi Potassium channels with their alpha and beta subunits influence muscle contraction and neurotransmitter release by modulating membrane potential. TDP1 participates in the repair of DNA double-strand breaks ensuring genomic stability. Nrf2 responds to oxidative stress forming a complex with Keap1 under non-stress conditions initiating protective gene transcription when activated.
Pathways
These proteins integrate into important cellular mechanisms. Nuclear receptors including Glucocorticoid and Estrogen Receptors are central to the steroid hormone signaling pathway. This pathway coordinates with the Mitogen-Activated Protein Kinase (MAPK) pathway to modulate cellular growth and differentiation. Gli3 functioning in the Sonic Hedgehog pathway interacts with Patched and Smoothened proteins that affect developmental processes. Maxi Potassium channels play roles in the regulation of calcium signaling pathways interacting with proteins like CaM (Calmodulin). Aromatase contributes to the estrogen synthesis pathway overlapping with steroidogenesis involving StAR (Steroidogenic acute regulatory protein). Nrf2 operates in the cellular antioxidant defense pathway modulating oxidative stress responses in interaction with proteins like BACH1.
These targets have significant medical implications. Aberrations in Glucocorticoid and Estrogen Receptors relate to hormone-sensitive cancers such as breast and prostate cancer often co-implicating the Androgen Receptor. Gli3 mutations result in developmental disorders like Greig cephalopolysyndactyly syndrome. Dysregulation of Aromatase leads to estrogen-dependent diseases affecting bone health and conditions like endometriosis. Maxi Potassium channel defects cause neurological disorders through abnormal neuronal firing patterns. TDP1 deficiencies associate with neurodegenerative conditions such as spinocerebellar ataxia. Nrf2 dysfunctions contribute to the pathogenesis of chronic diseases like cancer and neurodegeneration indicating overlapping roles with proteins in oxidative stress pathways.
