Category: 149554-29-0

Related Products of 149554-29-0. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-(Piperazin-1-yl)nicotinonitrile, is researched, Molecular C10H12N4, CAS is 149554-29-0, about 1-Amino-4-benzylphthalazines as Orally Bioavailable Smoothened Antagonists with Antitumor Activity. Author is Miller-Moslin, Karen; Peukert, Stefan; Jain, Rishi K.; McEwan, Michael A.; Karki, Rajesh; Llamas, Luis; Yusuff, Naeem; He, Feng; Li, Yanhong; Sun, Yingchuan; Dai, Miao; Perez, Lawrence; Michael, Walter; Sheng, Tao; Lei, Huangshu; Zhang, Rui; Williams, Juliet; Bourret, Aaron; Ramamurthy, Arun; Yuan, Jing; Guo, Ribo; Matsumoto, Melissa; Vattay, Anthony; Maniara, Wieslawa; Amaral, Adam; Dorsch, Marion; Kelleher, Joseph F. III.

Abnormal activation of the Hedgehog (Hh) signaling pathway has been linked to several types of human cancers, and the development of small-mol. inhibitors of this pathway represents a promising route toward novel anticancer therapeutics. A cell-based screen performed in our laboratories identified a new class of Hh pathway inhibitors, 1-amino-4-benzylphthalazines, e.g. I, that act via antagonism of the Smoothened receptor. A variety of analogs were synthesized and their structure-activity relationships determined This optimization resulted in the discovery of high affinity Smoothened antagonists, one of which was further profiled in vivo. This compound displayed a good pharmacokinetic profile and also afforded tumor regression in a genetic mouse model of medulloblastoma.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Receveur, Jean-Marie; Murray, Anthony; Linget, Jean-Michel; Norregaard, Pia K.; Cooper, Martin; Bjurling, Emelie; Nielsen, Peter Aadal; Hoegberg, Thomas published the article 《Conversion of 4-cyanomethyl-pyrazole-3-carboxamides into CB1 antagonists with lowered propensity to pass the blood-brain-barrier》. Keywords: CB1 receptor antagonist preparation pharmacokinetic structure activity lipophilicity; pyrazole carboxamide derivative preparation CB1 cannabinoid receptor antagonist.They researched the compound: 6-(Piperazin-1-yl)nicotinonitrile( cas:149554-29-0 ).Safety of 6-(Piperazin-1-yl)nicotinonitrile. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:149554-29-0) here.

A series of amides, amidines and amidoximes have been made from the corresponding nitrile compounds, to provide potent antagonists and inverse agonists for the CB1 receptor with considerably lower lipophilicity, higher polar surface area and improved plasma/brain ratios compared to the centrally acting rimonabant. Extensive investigations of ADME and in vivo pharmacol. properties led to selection of the amide series and specifically the 4-(4-fluorophenyl)piperidin-4-ol derivative D4. A clear improvement in the peripheral profile over rimonabant was seen, although some contribution of central effect on the pronounced weight reduction in obese mice cannot be ruled out.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 6-(Piperazin-1-yl)nicotinonitrile, is researched, Molecular C10H12N4, CAS is 149554-29-0, about Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis.Reference of 6-(Piperazin-1-yl)nicotinonitrile.

Sphingosine 1-phosphate (S1P) lyase has recently been implicated as a therapeutic target for the treatment of multiple sclerosis (MS), based on studies in a genetic mouse model. Potent active site directed inhibitors of the enzyme are not known so far. Here we describe the discovery of (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitrile 5 in a high-throughput screen using a biochem. assay, and its further optimization. This class of compounds was found to inhibit catalytic activity of S1PL by binding to the active site of the enzyme, as seen in the cocrystal structure of derivative 31 with the homodimeric human S1P lyase. 31 induces profound reduction of peripheral T cell numbers after oral dosage and confers pronounced protection in a rat model of multiple sclerosis. In conclusion, this novel class of direct S1P lyase inhibitors provides excellent tools to further explore the therapeutic potential of T cell-targeted therapies in multiple sclerosis and other autoimmune and inflammatory diseases.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Computed Properties of C10H12N4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-(Piperazin-1-yl)nicotinonitrile, is researched, Molecular C10H12N4, CAS is 149554-29-0, about Synthesis of new and potent analogs of anti-tuberculosis agent 5-nitrofuran-2-carboxylic acid 4-(4-benzylpiperazin-1-yl)benzylamide with improved bioavailability. Author is Tangallapally, Rajendra P.; Lee, Robin E. B.; Lenaerts, Anne J. M.; Lee, Richard E..

Previously, the lead compound 5-nitrofuran-2-carboxylic acid 4-(4-benzylpiperazin-1-yl)benzylamide was identified in our anti-tuberculosis drug discovery program. Although this compound demonstrated excellent in vitro activity, it did not meet the expected in vivo profiles due to structural features that resulted in rapid metabolic cleavage and poor absorption, which therefore limited its bioavailability. In efforts to increase the bioavailability, a new series of analogs was successfully synthesized using three modification schemes: replacement of the benzyl group on the piperazine C-ring with carbamate and urea functional groups; introduction of a nitrogen atom into the aromatic ring-B; and expansion of the ring-B to a bicyclic tetrahydroisoquinoline moiety. These modifications retained strong activity and in some case gained superior anti-tuberculosis activity, increased absorption, and serum half life.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI