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290297-26-6 | Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
CAS No: 290297-26-6 Catalog No: AG002V9C MDL No:MFCD25976831
Product Description
Catalog Number:
AG002V9C
Chemical Name:
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
CAS Number:
290297-26-6
Molecular Formula:
C30H32F6N4O
Molecular Weight:
578.5917
MDL Number:
MFCD25976831
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
InChI:
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
InChI Key:
WAXQNWCZJDTGBU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C
UNII:
7732P08TIR
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.248g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
578.603g/mol
Monoisotopic Mass:
578.248g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Differential and additive suppressive effects of 5-HT3 (palonosetron)- and NK1 (netupitant)-receptor antagonists on cisplatin-induced vomiting and ERK1/2, PKA and PKC activation. | Pharmacology, biochemistry, and behavior 20150401 |
| A phase III study evaluating the safety and efficacy of NEPA, a fixed-dose combination of netupitant and palonosetron, for prevention of chemotherapy-induced nausea and vomiting over repeated cycles of chemotherapy. | Annals of oncology : official journal of the European Society for Medical Oncology 20140701 |
| Activation of neurokinin-1 receptors increases the excitability of guinea pig dorsal root ganglion cells. | The Journal of pharmacology and experimental therapeutics 20121001 |
| In vitro and in vivo pharmacological characterization of the novel NK₁ receptor selective antagonist Netupitant. | Peptides 20120901 |
| Inhibition of substance P-mediated responses in NG108-15 cells by netupitant and palonosetron exhibit synergistic effects. | European journal of pharmacology 20120815 |
| Novel neurokinin-1 antagonists as antiemetics for the treatment of chemotherapy-induced emesis. | Supportive cancer therapy 20060401 |
| Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives. | The Journal of organic chemistry 20060303 |
| Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists. | Bioorganic & medicinal chemistry letters 20060301 |
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