WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 341364
CAS#: 887258-95-9 (free base)
Description: Vabicaserin is a novel antipsychotic and anorectic under development.
MedKoo Cat#: 341364
Name: Vabicaserin free base
CAS#: 887258-95-9 (free base)
Chemical Formula: C15H20N2
Exact Mass: 228.1626
Molecular Weight: 228.339
Elemental Analysis: C, 78.90; H, 8.83; N, 12.27
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.
Related CAS #: 887258-95-9 (free base) 887258-94-8 (HCl)
Synonym: SCA-136; PF-05208769; PF-5208769; SCA136; PF05208769; PF5208769; SCA 136; PF 05208769; PF 5208769; Vabicaserin
IUPAC/Chemical Name: Cyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, (9aR,12aS)-rel-(-)-
InChi Key: NPTIPEQJIDTVKR-CHWSQXEVSA-N
InChi Code: InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m1/s1
SMILES Code: [H][C@]1(C2)[C@](C3=C(N2CCNC4)C4=CC=C3)([H])CCC1
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
Shelf Life: >3 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: 2934.99.03.00
The following data is based on the product molecular weight 228.339 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.
| 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: Palacios JM, Pazos A, Hoyer D. A short history of the 5-HT(2C) receptor: from the choroid plexus to depression, obesity and addiction treatment. Psychopharmacology (Berl). 2017 May;234(9-10):1395-1418. doi: 10.1007/s00213-017-4545-5. Epub 2017 Mar 7. Review. PubMed PMID: 28265714.
2: Garay RP, Bourin M, de Paillette E, Samalin L, Hameg A, Llorca PM. Potential serotonergic agents for the treatment of schizophrenia. Expert Opin Investig Drugs. 2016;25(2):159-70. doi: 10.1517/13543784.2016.1121995. Epub 2015 Dec 15. Review. PubMed PMID: 26576669.
3: Dziechciejewski WJ, Weber R, Sowada O, Boysen MM. Cycloalkene Carbonitriles in Rhodium-Catalyzed 1,4-Addition and Formal Synthesis of Vabicaserin. Org Lett. 2015 Sep 4;17(17):4132-5. doi: 10.1021/acs.orglett.5b01849. Epub 2015 Aug 14. PubMed PMID: 26274890.
4: Liu J, Ogden A, Comery TA, Spiros A, Roberts P, Geerts H. Prediction of Efficacy of Vabicaserin, a 5-HT2C Agonist, for the Treatment of Schizophrenia Using a Quantitative Systems Pharmacology Model. CPT Pharmacometrics Syst Pharmacol. 2014 Apr 23;3:e111. doi: 10.1038/psp.2014.7. PubMed PMID: 24759548; PubMed Central PMCID: PMC4011163.
5: Shen JH, Zhao Y, Rosenzweig-Lipson S, Popp D, Williams JB, Giller E, Detke MJ, Kane JM. A 6-week randomized, double-blind, placebo-controlled, comparator referenced trial of vabicaserin in acute schizophrenia. J Psychiatr Res. 2014 Jun;53:14-22. doi: 10.1016/j.jpsychires.2014.02.012. Epub 2014 Feb 24. PubMed PMID: 24613032.
6: Neelamegam R, Hellenbrand T, Schroeder FA, Wang C, Hooker JM. Imaging evaluation of 5HT2C agonists, [(11)C]WAY-163909 and [(11)C]vabicaserin, formed by Pictet-Spengler cyclization. J Med Chem. 2014 Feb 27;57(4):1488-94. doi: 10.1021/jm401802f. Epub 2014 Feb 12. PubMed PMID: 24491146; PubMed Central PMCID: PMC3983360.
7: Dragan V, McWilliams JC, Miller R, Sutherland K, Dillon JL, O'Brien MK. Asymmetric synthesis of vabicaserin via oxidative multicomponent annulation and asymmetric hydrogenation of a 3,4-substituted quinolinium salt. Org Lett. 2013 Jun 21;15(12):2942-5. doi: 10.1021/ol401029k. Epub 2013 Jun 10. PubMed PMID: 23751116.
8: Ogino S, Nagakura Y, Tsukamoto M, Watabiki T, Ozawa T, Oe T, Shimizu Y, Ito H. Systemic administration of 5-HT(2C) receptor agonists attenuates muscular hyperalgesia in reserpine-induced myalgia model. Pharmacol Biochem Behav. 2013 Jul;108:8-15. doi: 10.1016/j.pbb.2013.04.007. Epub 2013 Apr 18. PubMed PMID: 23603031.
9: Rosenzweig-Lipson S, Comery TA, Marquis KL, Gross J, Dunlop J. 5-HT(2C) agonists as therapeutics for the treatment of schizophrenia. Handb Exp Pharmacol. 2012;(213):147-65. doi: 10.1007/978-3-642-25758-2_6. Review. PubMed PMID: 23027415.
10: Dunlop J, Watts SW, Barrett JE, Coupet J, Harrison B, Mazandarani H, Nawoschik S, Pangalos MN, Ramamoorthy S, Schechter L, Smith D, Stack G, Zhang J, Zhang G, Rosenzweig-Lipson S. Characterization of vabicaserin (SCA-136), a selective 5-hydroxytryptamine 2C receptor agonist. J Pharmacol Exp Ther. 2011 Jun;337(3):673-80. doi: 10.1124/jpet.111.179572. Epub 2011 Mar 14. PubMed PMID: 21402690.
11: Hovelsø N, Sager TN, Mørk A. Combination of escitalopram and a 5-HT(₁A) receptor antagonist selectively decreases the extracellular levels of dopamine in the nucleus accumbens relative to striatum through 5-HT(₂C) receptor stimulation; suggestive of antipsychotic potential. Pharmacol Biochem Behav. 2011 Jan;97(3):479-85. doi: 10.1016/j.pbb.2010.10.003. Epub 2010 Oct 16. PubMed PMID: 20937301.
12: Tong Z, Chandrasekaran A, DeMaio W, Espina R, Lu W, Jordan R, Scatina J. Metabolism of vabicaserin in mice, rats, dogs, monkeys, and humans. Drug Metab Dispos. 2010 Dec;38(12):2266-77. doi: 10.1124/dmd.110.033670. Epub 2010 Aug 25. PubMed PMID: 20739639.
13: Tong Z, Chandrasekaran A, DeMaio W, Jordan R, Li H, Moore R, Poola N, Burghart P, Hultin T, Scatina J. Species differences in the formation of vabicaserin carbamoyl glucuronide. Drug Metab Dispos. 2010 Apr;38(4):581-90. doi: 10.1124/dmd.109.028639. Epub 2009 Dec 23. PubMed PMID: 20032194.
