| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg | |||
| 250mg | |||
| Other Sizes |
Atogepant (MK-8031; MK8031; Qulipta), a gepant, is a novel, oral and potent calcitonin gene-related peptide receptor antagonist approved in September 2021 for medical use in the United States to prevent episodic migraines.
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Peak plasma concentrations occur approximately 2–3 hours after oral administration. Atorapane pharmacokinetics are dose-proportional up to approximately 3 times the recommended maximum dose and are not significantly affected by co-administration with food. Atorapane is primarily eliminated via CYP3A4 metabolism. In healthy male subjects, following a single oral dose of radiolabeled atorgapane, 42% of the administered dose was excreted unchanged in feces, and 5% was excreted unchanged in urine. A total of approximately 81% of the radioactive material was recovered in feces, and only 8% in urine. The mean apparent volume of distribution of atorgapane is 292 L. The mean apparent oral clearance of atorgapane is approximately 19 L/h. Metabolism/Metabolites The metabolism of atorgapane is primarily mediated by CYP3A4. The most common circulating compounds in plasma are atorvastatin itself and its glucuronide conjugate metabolite (M23), accounting for approximately 75% and 15% of the administered dose, respectively. At least 10 other metabolites were detected in feces, accounting for <10% of the administered dose. Biological Half-Life The elimination half-life of oral atorvastatin is approximately 11 hours. |
|---|---|
| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation
◉ Overview of Use During Lactation Since there is no published experience with the use of atorvastatin during lactation, alternative medications are recommended, especially for breastfed newborns or premature infants. ◉ Effects on Breastfed Infants As of the revision date, no relevant published information was found. ◉ Effects on Lactation and Breast Milk As of the revision date, no relevant published information was found. Protein Binding Atorvastatin is extensively bound to proteins in plasma (approximately 95.3%). |
| References | |
| Additional Infomation |
Pharmacodynamics
Atorgapan helps prevent migraines by antagonizing the activity of a pain-promoting molecule (CGRP) associated with migraine pathophysiology. Atorgapan is intended for the prevention, not treatment, of migraines and is taken once daily. No dose adjustment is required for patients with mild to moderate hepatic impairment, but patients with severe hepatic impairment should avoid using atorgapan. Similarly, no dose adjustment is required for patients with mild to moderate renal impairment, but the maximum daily dose for patients with severe renal impairment should be limited to 10 mg. |
| Molecular Formula |
C29H23F6N5O3
|
|---|---|
| Molecular Weight |
603.5254
|
| Exact Mass |
603.17
|
| CAS # |
1374248-81-3
|
| Related CAS # |
(3R,5R,6S)-Atogepant
|
| PubChem CID |
72163100
|
| Appearance |
White to off-white solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
693.9±55.0 °C at 760 mmHg
|
| Flash Point |
373.5±31.5 °C
|
| Vapour Pressure |
0.0±2.2 mmHg at 25°C
|
| Index of Refraction |
1.624
|
| LogP |
4.37
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
43
|
| Complexity |
1110
|
| Defined Atom Stereocenter Count |
4
|
| 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=C(C=CC(=C6F)F)F
|
| InChi Key |
QIVUCLWGARAQIO-OLIXTKCUSA-N
|
| InChi Code |
InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
|
| Chemical Name |
(3'S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide
|
| Synonyms |
MK8031 MK-8031 MK8031 Atogepant.
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~165.69 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6569 mL | 8.2846 mL | 16.5692 mL | |
| 5 mM | 0.3314 mL | 1.6569 mL | 3.3138 mL | |
| 10 mM | 0.1657 mL | 0.8285 mL | 1.6569 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
