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177707-12-9,MFCD00947328
Catalog No.:AA0025DW

177707-12-9 | 4-Quinolinecarboxamide, N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-

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5mg
≥99%
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$616.00   $432.00
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10mg
≥99%
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$827.00   $579.00
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50mg
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0025DW
Chemical Name:
4-Quinolinecarboxamide, N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-
CAS Number:
177707-12-9
Molecular Formula:
C31H24ClF6N3O2
Molecular Weight:
619.9846
MDL Number:
MFCD00947328
SMILES:
Clc1ccc(cc1)C[C@@H]1C[C@H](CCN1C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c1ccnc2c1cccc2
Properties
Computed Properties
 
Complexity:
950  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
7.6  

Literature

Title: Non-peptide NK1 receptor ligands based on the 4-phenylpyridine moiety.

Journal: Bioorganic & medicinal chemistry 20110401

Title: Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

Journal: Journal of medicinal chemistry 20081113

Title: The NK1 receptor antagonist NKP608 lacks anxiolytic-like activity in Swiss-Webster mice exposed to the elevated plus-maze.

Journal: Behavioural brain research 20040923

Title: Expression of functional neurokinin-1 receptors in regenerative glands during gastric wound healing in rodents.

Journal: Gastroenterology 20040301

Title: Effect of a novel NK1 receptor selective antagonist (NKP608) on citric acid induced cough and airway obstruction.

Journal: Pulmonary pharmacology & therapeutics 20040101

Title: Comparison of the functional blockade of rat substance P (NK1) receptors by GR205171, RP67580, SR140333 and NKP-608.

Journal: Neuropharmacology 20030801

Title: Anxiolytic effect of NKP608, a NK1-receptor antagonist, in the social investigation test in gerbils.

Journal: Behavioural brain research 20020718

Title: Antagonism by NKP608 of substance P-induced plasma protein exudation in a novel preparation of perfused trachea in rats and guinea-pigs in vivo.

Journal: Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20020701

Title: Pharmacological and endocrinological characterisation of stress-induced hyperthermia in singly housed mice using classical and candidate anxiolytics (LY314582, MPEP and NKP608).

Journal: European journal of pharmacology 20020125

Title: El-Hashim AZ, Wyss D, Lewis C. Effect of a novel NK1 receptor selective antagonist (NKP608) on citric acid induced cough and airway obstruction. Pulm Pharmacol Ther. 2004;17(1):11-8.

Title: Vendruscolo LF, Takahashi RN, Brüske GR, Ramos A. Evaluation of the anxiolytic-like effect of NKP608, a NK1-receptor antagonist, in two rat strains that differ in anxiety-related behaviors. Psychopharmacology (Berl). 2003 Nov;170(3):287-93.

Title: Rupniak NM, Carlson EJ, Shepheard S, et al. Comparison of the functional blockade of rat substance P (NK1) receptors by GR205171, RP67580, SR140333 and NKP-608. Neuropharmacology. 2003 Aug;45(2):231-41.

Title: Gentsch C, Cutler M, Vassout A, et al. Anxiolytic effect of NKP608, a NK1-receptor antagonist, in the social investigation test in gerbils. Behav Brain Res. 2002 Jul 18;133(2):363-8.

Title: Vassout A, Veenstra S, Hauser K, et al. NKP608: a selective NK-1 receptor antagonist with anxiolytic-like effects in the social interaction and social exploration test in rats. Regul Pept. 2000 Dec 22;96(1-2):7-16.

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Tags:177707-12-9 Molecular Formula|177707-12-9 MDL|177707-12-9 SMILES|177707-12-9 4-Quinolinecarboxamide, N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-