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MedKoo Cat#: 413890 | Name: Donitriptan Free Base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Donitriptan Free Base is a 5-HT(1D) agonist.

Chemical Structure

Donitriptan Free Base
Donitriptan Free Base
CAS#170912-52-4 (free base)

Theoretical Analysis

MedKoo Cat#: 413890

Name: Donitriptan Free Base

CAS#: 170912-52-4 (free base)

Chemical Formula: C23H25N5O2

Exact Mass: 403.2008

Molecular Weight: 403.49

Elemental Analysis: C, 68.47; H, 6.25; N, 17.36; O, 7.93

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
170912-52-4 (free base) 200615-15-2 (mesylate) 170911-68-9 (HCl)
Synonym
Donitriptan Free Base; UNII-70968BVH2J
IUPAC/Chemical Name
1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine.
InChi Key
SOHCKWZVTCTQBG-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2
SMILES Code
N#CC1=CC=C(N2CCN(C(COC3=CC4=C(NC=C4CCN)C=C3)=O)CC2)C=C1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 403.49 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
1: Létienne R, Blanchet JC, Sole E, John GW, Le Grand B. Donitriptan decreases jugular venous oxygen saturation in rats in the absence of cranial vasoconstriction: an overlooked mechanism of antimigraine action? J Pharmacol Exp Ther. 2005 Nov;315(2):849-57. doi: 10.1124/jpet.105.090159. Epub 2005 Jul 18. PMID: 16027226. 2: Letienne R, Verscheure Y, Perez M, Le Grand B, Colpaert FC, John GW. Donitriptan selectively decreases jugular venous oxygen saturation in the anesthetized pig: further insights into its mechanism of action relevant to headache relief. J Pharmacol Exp Ther. 2003 May;305(2):749-54. doi: 10.1124/jpet.102.047225. Epub 2003 Feb 11. PMID: 12606602. 3: Muñoz-Islas E, Gupta S, Jiménez-Mena LR, Lozano-Cuenca J, Sánchez-López A, Centurión D, Mehrotra S, MaassenVanDenBrink A, Villalón CM. Donitriptan, but not sumatriptan, inhibits capsaicin-induced canine external carotid vasodilatation via 5-HT1B rather than 5-HT1D receptors. Br J Pharmacol. 2006 Sep;149(1):82-91. doi: 10.1038/sj.bjp.0706839. Epub 2006 Jul 31. PMID: 16880765; PMCID: PMC1629409. 4: van den Broek RW, MaassenVanDenBrink A, Mulder PG, Bogers AJ, Avezaat CJ, John GW, Saxena PR. Comparison of contractile responses to donitriptan and sumatriptan in the human middle meningeal and coronary arteries. Eur J Pharmacol. 2002 May 17;443(1-3):125-32. doi: 10.1016/s0014-2999(02)01576-5. PMID: 12044802. 5: Dukat M. Donitriptan (Pierre Fabre). Curr Opin Investig Drugs. 2001 Mar;2(3):415-8. PMID: 11575714. 6: García-Nafría J, Nehmé R, Edwards PC, Tate CG. Cryo-EM structure of the serotonin 5-HT1B receptor coupled to heterotrimeric Go. Nature. 2018 Jun;558(7711):620-623. doi: 10.1038/s41586-018-0241-9. Epub 2018 Jun 20. PMID: 29925951; PMCID: PMC6027989. 7: Vyhlídalová B, Krasulová K, Pečinková P, Poulíková K, Vrzal R, Andrysík Z, Chandran A, Mani S, Dvorak Z. Antimigraine Drug Avitriptan Is a Ligand and Agonist of Human Aryl Hydrocarbon Receptor That Induces CYP1A1 in Hepatic and Intestinal Cells. Int J Mol Sci. 2020 Apr 17;21(8):2799. doi: 10.3390/ijms21082799. PMID: 32316498; PMCID: PMC7216230. 8: Tom B, De Vries P, Heiligers JP, Willems EW, Kapoor K, John GW, Saxena PR. Effects of donitriptan on carotid haemodynamics and cardiac output distribution in anaesthetized pigs. Cephalalgia. 2002 Feb;22(1):37-47. doi: 10.1046/j.1468-2982.2002.00308.x. PMID: 11993612. 9: Limmroth V, Katsarava Z, Liedert B, Guehring H, Schmitz K, Diener HC, Michel MC. An in vivo rat model to study calcitonin gene related peptide release following activation of the trigeminal vascular system. Pain. 2001 May;92(1-2):101-6. doi: 10.1016/s0304-3959(00)00475-9. PMID: 11323131. 10: Mucke H. Therapies in development for the treatment of migraine. Expert Opin Investig Drugs. 2002 Dec;11(12):1813-20. doi: 10.1517/13543784.11.12.1813. PMID: 12457440.