Size | Price | Stock | Qty |
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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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250mg |
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Other Sizes |
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Purity: ≥98%
Ubrogepant (formerly known as MK-1602; MK1602; Ubrelvy) is a novel, potent, orally bioavailable antagonist of calcitonin gene-related peptide receptor (CGRP) approved in 2019 for the acute treatment of migraine with or without aura in adults. Ubrogepant was about to move into phase 2 development at the time of implementation. In order to facilitate exposure-response modeling, DBS (dried blood spots) was used to gather PK data close to an acute migraine event. A spontaneous event, which typically takes place outside of a clinic visit, was the clinical endpoint. Facilitating DBS in an outpatient setting was, therefore, a novel aspect of this trial. The first method's suitability for additional clinical evaluations was determined by in vitro and bioanalytical tests. In a phase 1 (healthy subjects) and phase 2 (target patient population) study, a quantitative relationship between blood and plasma concentrations from concurrently collected samples was established using graphical and population PK approaches. The Food and Drug Administration was given access to this comprehensive data for regulatory comment. After receiving regulatory approval, DBS was ready to be used in additional clinical trials. To identify the sources of variability influencing DBS collection in the outpatient context, population PK modeling was applied. The knowledge gained from this program has influenced Merck & Co., Inc.'s (Kenilworth, NJ) more comprehensive integrated strategy for DBS implementation in clinical trials and research to increase the accuracy of PK data obtained in an outpatient setting.
Molecular Formula |
C29H26F3N5O3
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Molecular Weight |
549.54364
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Exact Mass |
549.2
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Elemental Analysis |
C, 63.38; H, 4.77; F, 10.37; N, 12.74; O, 8.73
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CAS # |
1374248-77-7
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Appearance |
Solid powder
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SMILES |
C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
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InChi Key |
DDOOFTLHJSMHLN-ZQHRPCGSSA-N
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InChi Code |
InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
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Chemical Name |
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
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Synonyms |
Ubrogepant; MK1602; MK-1602; MK1602; trade name: Ubrelvy
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO: 100~250 mg/mL (182~454.9 mM)
Ethanol: ~50 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (11.37 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 62.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 6.25 mg/mL (11.37 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 62.5 mg/mL clear DMSO stock solution to 900 μL corn oil and mix evenly. View More
Solubility in Formulation 3: ≥ 5 mg/mL (9.10 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 5%DMSO + 40%PEG300 + 5%Tween 80 + 50%ddH2O: 5.0mg/ml (9.10mM) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.8197 mL | 9.0985 mL | 18.1970 mL | |
5 mM | 0.3639 mL | 1.8197 mL | 3.6394 mL | |
10 mM | 0.1820 mL | 0.9099 mL | 1.8197 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
NCT05125302 | Recruiting | Drug: Ubrogepant Drug: Placebo-Matching Ubrogepant |
Migraine | AbbVie | January 13, 2022 | Phase 3 |
NCT05214001 | Recruiting | Drug: Almotriptan 12.5 Mg Oral Tablet Drug: Ubrogepant 50Mg Tab |
Migraine With Aura Migraine Without Aura |
Messoud Ashina, MD | June 30, 2022 | Phase 4 |
NCT05892757 | Recruiting | Drug: Atogepant Drug: Ubrogepant |
Healthy Volunteers | AbbVie | July 11, 2023 | Phase 1 |
NCT06212661 | Not yet recruiting | Drug: Ubrogepant Drug: Rimegepant Drug: Atogepant |
Migraine Interstitial Cystitis |
The Cleveland Clinic | January 2024 | N/A |
NCT05827887 | Recruiting | N/A | Migraine | AbbVie | June 25, 2023 | N/A |