DC Chemicals Limited
China
Product Name: MLE-4901
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Purity: 98.0%
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941690-55-7

941690-55-7 structure

941690-55-7 structure

Name: MLE-4901
Chemical Name: 3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CAS Number: 941690-55-7
Molecular Formula: C₂₆H₂₅N₃O₃S
Molecular Weight: 459.56000
Catalog: Signaling Pathways GPCR/G Protein Neurokinin Receptor
Create Date: 2017-10-21 12:31:56
Modify Date: 2024-01-11 10:41:43
Pavinetant (MLE-4901) is a neurokinin-3 receptor (NK3R) antagonist.

Name	3-(methanesulfonamido)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Synonyms	unii-3u471zvc5k azd2624 MLE-4901

Description	Pavinetant (MLE-4901) is a neurokinin-3 receptor (NK3R) antagonist.
Related Catalog	Signaling Pathways >> GPCR/G Protein >> Neurokinin Receptor Signaling Pathways >> Neuronal Signaling >> Neurokinin Receptor Research Areas >> Neurological Disease
Target	NK3R[1]
In Vitro	Pavinetant (AZD2624) is a potent and selective NK3 receptor antagonist which is developed for the treatment of schizophrenia. Pavinetant exhibits an inhibitory effect on microsomal CYP3A4/5 activities with apparent IC50 values of 7.1 and 19.8 μM for midazolam and testosterone assays, respectively. No time-dependent inactivation of CYP3A4/5 activity by Pavinetant is observed. Pavinetant demonstrates weak to no inhibition of CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, and CYP2D6[1].
Kinase Assay	The potential of Pavinetant (AZD2624) to cause time-dependent inhibition of CYP3A activities is evaluated by pre-incubating 10 μM of Pavinetant at 37°C for 0, 3, 10, 20, and 30 min in 0.1 M pH 7.4 phosphate buffer incubation mixture (0.2 mL) containing 2 mg/mL HLM and 1 mM NADPH. Verapamil, tested at 10 μM, is also incubated separately as a positivecontrol. An aliquot of 20 μL is removed from pre-incubation tube at each time point and added to a secondary 5-min incubation(180 μL) containing 15 μM of midazolam and 1 mM of NADPH. The formation of 1′-hydroxymidazolam is used as the marker activity for CYP3A enzymes and analyzed using LC-MS. CYP3A enzyme activities after pre-incubation with Pavinetant arecompared to activities following incubation with vehicle solvent (1% methanol) and without pre-incubation[1].
References	[1]. Li Y, et al. In vitro assessment of metabolic drug–drug interaction potential of AZD2624, neurokinin-3 receptor antagonist, through cytochrome P(450) enzyme identification, inhibition, and induction studies. Xenobiotica. 2010 Nov;40(11):721-9.

Molecular Formula	C₂₆H₂₅N₃O₃S
Molecular Weight	459.56000
Exact Mass	459.16200
PSA	100.03000
LogP	6.88300