Description
Key facts
CAS number:196309-76-9,
Purity:>99%,
Form:SolidSee storage information,
Molecular weight:249.33 Da,
Molecular formula:C13H15NO2S,
PubChem:5353432,
Nature:Synthetic,
Solubility:Soluble in DMSO to 100 mMSoluble in ethanol to 100 mM,
Biochemical name:(E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile,
Biological description:Irreversibly inhibits TNF-α-induced IxBα phosphorylation. Reduces NF-κB and adhesion molecules (IC50 = 5-10 μM). Anti-inflammatory, anti cancer and neuroprotective agent in vivo.,
Canonical smiles:CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N,
Isomeric smiles:CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N,
InChi:InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+,
InChiKey:VHKZGNPOHPFPER-ONNFQVAWSA-N,
IUPAC Name:(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
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.
CCR2 also known as C-C chemokine receptor type 2 and Dopamine Receptor D3 (DRD3) are both G protein-coupled receptors playing critical roles in cell signaling. CCR2 with a mass of approximately 41 kDa is expressed in various tissues like the brain heart and immune cells. DRD3 with a mass of around 44 kDa is primarily present in the central nervous system especially in limbic areas and basal ganglia. TDP1 another protein target functions in DNA repair with a mass of about 68 kDa and shows expressions in most human tissues. Geminin regulates DNA replication and cell cycle weighing approximately 25 kDa and ALDH1A1 an enzyme involved in aldehyde metabolism has a mass of 55 kDa and is found in the liver kidney and several stem cells niches.
Biological function summary
CCR2 mediates immune response by binding to its ligand CCL2 and recruits monocytes to sites of inflammation. DRD3 modulates neurological and behavioral processes by inhibitory signaling in dopamine pathways. TDP1 works collaboratively with other repair proteins to correct DNA strand breaks. Geminin inhibits the replication licensing process until the appropriate phase of the cell cycle. ALDH1A1 facilitates the oxidation of retinal to retinoic acid a process essential for synthesizing bioactive molecules. These proteins impact cellular functions through their interactions in multiprotein complexes.
Pathways
CCR2 and DRD3 both play important roles in inflammation and neurotransmission pathways respectively. CCR2 is integral in the MAPK and NF-kB pathways influencing inflammatory responses and IL-6 secretion. DRD3 exerts its effects through the dopaminergic signaling pathway closely associating with other dopamine receptors and interacting with proteins like G-proteins. TDP1 participates in the base excision repair pathway while Geminin regulates the licensing of replication origins. ALDH1A1 operates within the retinoic acid biosynthesis pathway converting vitamin A derivatives.
CCR2 links to inflammatory conditions such as rheumatoid arthritis through a network including chemokine ligands and cytokines. DRD3 associates with psychiatric disorders like schizophrenia often in conjunction with other dopamine receptors. TDP1 mutations result in Spinocerebellar Ataxia with Axonal Neuropathy while Geminin misregulation may contribute to cancer by allowing unchecked DNA replication. ALDH1A1 dysregulation relates to alcohol dependence and impacts ethanol metabolism—highlighting connections with ADH proteins in alcohol oxidation and detoxification.
