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Almotriptan Malate (formerly LAS31416; LAS-31416; Almogran; Amignul; Almotrex; Axert), the maleate salt of Almotriptan which is an approved anti-migraine drug, is a potent and selective 5-hydroxytryptamine1B/1D (5-HT1B/1D) receptor agonist. It is a triptan medication that Almirall created to treat adult patients with severe migraine headaches. Almotriptan works by attaching itself to the receptor, which causes the cerebral blood vessels to constrict, thereby changing how the blood flow in the brain is distributed. It lowers blood flow via extracerebral cranial vessels and dramatically increases cerebral blood flow.
Physicochemical Properties
| Molecular Formula | C21H31N3O7S | |
| Molecular Weight | 469.55 | |
| Exact Mass | 469.188 | |
| CAS # | 181183-52-8 | |
| Related CAS # | Almotriptan; 154323-57-6 | |
| PubChem CID | 123607 | |
| Appearance | White to off-white solid powder | |
| Density | 1.27g/cm3 | |
| Boiling Point | 538.7ºC at 760mmHg | |
| Melting Point | 170-172ºC | |
| Flash Point | 279.6ºC | |
| Vapour Pressure | 1.13E-11mmHg at 25°C | |
| LogP | 2.122 | |
| Hydrogen Bond Donor Count | 4 | |
| Hydrogen Bond Acceptor Count | 9 | |
| Rotatable Bond Count | 9 | |
| Heavy Atom Count | 32 | |
| Complexity | 612 | |
| Defined Atom Stereocenter Count | 0 | |
| SMILES | S(C([H])([H])C1C([H])=C([H])C2=C(C(=C([H])N2[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C=1[H])(N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])(=O)=O.O([H])C([H])(C(=O)O[H])C([H])([H])C(=O)O[H] |
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| InChi Key | QHATUKWEVNMHRY-UHFFFAOYSA-N | |
| InChi Code | InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9) | |
| Chemical Name | N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;2-hydroxybutanedioic acid | |
| Synonyms |
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| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
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| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | 5-HT1B Receptor; 5-HT1d Receptor |
| References |
[1]. Pharmacological characterization of almotriptan: an indolic 5-HT receptor agonist for the treatment of migraine. Eur J Pharmacol, 2000. 410(1): p. 33-41. [2]. Safety profile of almotriptan, a new antimigraine agent. Effects on central nervous system, renal function and respiratory dynamics. Arzneimittelforschung, 2001. 51(9): p. 726-32. |
| Additional Infomation |
Almotriptan malate is the malate salt of almotriptan. It has a role as a vasoconstrictor agent, a serotonergic agonist and a non-steroidal anti-inflammatory drug. It contains an almotriptan. Almotriptan Malate is the malate salt of almotriptan, a sulfonamide triptan with vasoconstrictor activity. Almotriptan selectively binds to and activates serotonin 5-HT 1B and 1D receptors in the central nervous system (CNS), thereby causing cerebral blood vessel constriction. This may lead to pain relief from vascular headaches. Almotriptan may also relieve vascular headaches by preventing the release of vasoactive neuropeptides from perivascular trigeminal axons in the dura mater during a migraine, by reducing extravasation of plasma proteins, and by decreasing the release of other mediators of inflammation from the trigeminal nerve. See also: Almotriptan (has active moiety). |
Solubility Data
| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.32 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. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.32 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 25.0 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 3: ≥ 2.5 mg/mL (5.32 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 50 mg/mL (106.48 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1297 mL | 10.6485 mL | 21.2970 mL | |
| 5 mM | 0.4259 mL | 2.1297 mL | 4.2594 mL | |
| 10 mM | 0.2130 mL | 1.0648 mL | 2.1297 mL |