Pavinetant
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MedKoo CAT#: 524338

CAS#: 941690-55-7

Description: Pavinetant, also known as MLE-4901, AZD-4901, AZ-12472520, and AZD-2624, is a small-molecule, orally active, selective neurokinin-3 (NK3) receptor antagonist which is under development by AstraZeneca and Millendo Therapeutics for the treatment of hot flashes and polycystic ovary syndrome (PCOS). It was also under investigation for the treatment of schizophrenia, but development was discontinued for this indication due to lack of effectiveness. As of 2017, the drug is in phase II clinical trials for hot flashes and PCOS.

Chemical Structure

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Pavinetant
CAS# 941690-55-7
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 524338
Name: Pavinetant
CAS#: 941690-55-7
Chemical Formula: C26H25N3O3S
Exact Mass: 459.16
Molecular Weight: 459.564
Elemental Analysis: C, 67.95; H, 5.48; N, 9.14; O, 10.44; S, 6.98

Price and Availability

Size Price Availability Quantity
1mg USD 235
5mg USD 510
10mg USD 780
50mg USD 1300
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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

Appearance: Solid powder

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

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
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/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 50.0 108.80

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.

Recalculate based on batch purity %
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.
In vivo protocol: TBD

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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.