Catalog No.:AA002V6K

290297-26-6 | Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-

Name: Name:Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
Brand: AABLOCKS
SKU: AA002V6K
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100mg

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA002V6K

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:

MFCD02684471

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

Properties

BP:

597.4°C at 760 mmHg

Form:

Solid

MP:

158-161°C

Storage:

Keep in dry area;2-8℃;

Computed Properties

Complexity:

865

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

6.8

Downstream Synthesis Route

2-3,5-bis(trifluoromethyl)phenyl-2-methylpropionylchloride

290297-25-5

290297-26-6

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1362-1365

290297-25-5

289686-69-7

290297-26-6

[1]Patent:US8426450,2013,B1.Locationinpatent:Page/Pagecolumn27;28

[2]Patent:JP2015/17121,2015,A.Locationinpatent:Paragraph0160-0162

[3]Patent:CN106892864,2017,A.Locationinpatent:Paragraph0025;0026

[4]JournalofOrganicChemistry,2006,vol.71,p.2000-2008

[5]OrganicProcessResearchandDevelopment,2006,vol.10,p.1157-1166

[6]Patent:US2015/315149,2015,A1.Locationinpatent:Paragraph0062

[7]Patent:US9403772,2016,B2.Locationinpatent:Page/Pagecolumn32

[8]Patent:US6297375,2001,B1

109-01-3

Merrifieldresin-OC(O)CH2CH2CH(OH)CH2I

290297-26-6

[1]JournalofOrganicChemistry,2006,vol.71,p.2000-2008

6-chloro-4-<i>o</i>-tolyl-nicotinoylchloride

290297-26-6

[1]JournalofOrganicChemistry,2006,vol.71,p.2000-2008

342417-00-9

290297-26-6

[1]JournalofOrganicChemistry,2006,vol.71,p.2000-2008

[2]Patent:JP2015/17121,2015,A

[3]Patent:US8426450,2013,B1

Literature

Title: 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.

Journal: Pharmacology, biochemistry, and behavior 20150401

Title: 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.

Journal: Annals of oncology : official journal of the European Society for Medical Oncology 20140701

Title: Activation of neurokinin-1 receptors increases the excitability of guinea pig dorsal root ganglion cells.

Journal: The Journal of pharmacology and experimental therapeutics 20121001

Title: In vitro and in vivo pharmacological characterization of the novel NK₁ receptor selective antagonist Netupitant.

Journal: Peptides 20120901

Title: Inhibition of substance P-mediated responses in NG108-15 cells by netupitant and palonosetron exhibit synergistic effects.

Journal: European journal of pharmacology 20120815

Title: Novel neurokinin-1 antagonists as antiemetics for the treatment of chemotherapy-induced emesis.

Journal: Supportive cancer therapy 20060401

Title: Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives.

Journal: The Journal of organic chemistry 20060303

Title: Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20060301

Title: Hoffmann T, et al. Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1362-5.

Title: Rizzi A, et al. In vitro and in vivo pharmacological characterization of the novel NK1 receptor selective antagonist Netupitant. Peptides. 2012 Sep;37(1):86-97.

Title: Stefano Palea, et al. Netupitant, a Potent and Highly Selective NK1 Receptor Antagonist, Alleviates Acetic Acid-Induced Bladder Overactivity in Anesthetized Guinea-Pigs. Front Pharmacol. 2016 Aug 4;7:234.

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