Synonym
AZD-2624; AZD2624; AZD 2624; MLE-4901; MLE4901; MLE 4901; AZD-4901; AZD 4901; AZD4901; AZ-12472520; AZ 12472520; AZ12472520; pavinetant;
IUPAC/Chemical Name
(S)-3-(methylsulfonamido)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
InChi Key
QYTBBBAHNIWFOD-NRFANRHFSA-N
InChi Code
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
SMILES Code
O=C(C1=C(NS(=O)(C)=O)C(C2=CC=CC=C2)=NC3=CC=CC=C13)N[C@H](C4=CC=CC=C4)CC
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Biological target:
Pavinetant (MLE-4901) is a neurokinin-3 receptor (NK3R) antagonist.
In vitro activity:
The metabolic drug-drug interaction potential of AZD2624 was evaluated in in vitro studies. AZD2624 exhibited an inhibitory effect on microsomal CYP3A4/5 activities with apparent IC(50) values of 7.1 and 19.8 µM for midazolam and testosterone assays, respectively.
Reference: Xenobiotica. 2010 Nov;40(11):721-9. https://pubmed.ncbi.nlm.nih.gov/20937004/
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
50.0 |
108.80 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
459.56
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
Formulation protocol:
Li Y, Zhou D, Ferguson SS, Dorff P, Simpson TR, Grimm SW. 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. doi: 10.3109/00498254.2010.512670. PMID: 20937004.
In vitro protocol:
Li Y, Zhou D, Ferguson SS, Dorff P, Simpson TR, Grimm SW. 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. doi: 10.3109/00498254.2010.512670. PMID: 20937004.
1: Litman RE, Smith MA, Desai DG, Simpson T, Sweitzer D, Kanes SJ. The selective neurokinin 3 antagonist AZD2624 does not improve symptoms or cognition in schizophrenia: a proof-of-principle study. J Clin Psychopharmacol. 2014 Apr;34(2):199-204. doi: 10.1097/JCP.0000000000000071. PubMed PMID: 24525659.
2: Wesolowski SS, Pivonka DE. A rapid alternative to X-ray crystallography for chiral determination: case studies of vibrational circular dichroism (VCD) to advance drug discovery projects. Bioorg Med Chem Lett. 2013 Jul 15;23(14):4019-25. doi: 10.1016/j.bmcl.2013.05.005. Epub 2013 May 9. PubMed PMID: 23743289.
3: Li Y, Zhou D, Ferguson SS, Dorff P, Simpson TR, Grimm SW. 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. doi: 10.3109/00498254.2010.512670. PubMed PMID: 20937004.
4: Depypere, H., Lademacher, C., Siddiqui, E., & Fraser, G. L. (2021). Fezolinetant in the treatment of vasomotor symptoms associated with menopause. Expert Opinion on Investigational Drugs, 30(7), 681-694.
5: Genazzani, A. R., Gaspard, U., & Foidart, J. M. (2019). Oral investigational drugs currently in phase I or phase II for the amelioration of menopausal symptoms. Expert Opinion on Investigational Drugs, 28(3), 235-247.
6: McCartney, C. R. (2021). Higher-level modulation of GnRH secretion: progress toward next-generation reproductive treatments?. The Journal of Clinical Endocrinology & Metabolism, 106(8), e3272-e3274.
