Hostname: page-component-6766d58669-nqrmd Total loading time: 0 Render date: 2026-05-22T13:25:54.240Z Has data issue: false hasContentIssue false
  • English
  • Français

Crystal structure and X-ray powder diffraction data for Lumateperone tosylate

Published online by Cambridge University Press:  27 October 2023

Jiyong Liu ,
Dier Shi ,
Shuna Liu  and
Xiurong Hu Open the ORCID record for Xiurong Hu [Opens in a new window]
Jiyong Liu
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Dier Shi
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Shuna Liu
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Xiurong Hu*
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
*
a)Author to whom correspondence should be addressed. Electronic mail: huxiurong@zju.edu.cn
Get access

Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for the Lumateperone tosylate, C24H29FN3O⋅C7H7O3S, are reported [a = 15.5848(10) Å, b = 6.0700(4) Å, c = 31.3201(14) Å, β = 96.544(5)°, V = 2943.58 Å3, Z = 4, and space group C2]. In each case, all measured lines were indexed and were consistent with the corresponding space group. The single-crystal data of Lumateperone tosylate is also reported, respectively [a = 15.626(3) Å, b = 6.0806(10) Å, c = 31.415(5) Å, β = 96.609(7)°, V = 2965.1(8) Å3, Z = 4, and space group C2]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data with preferred orientation in the [002] direction (orientation coefficient = 0.75).

Keywords

X-ray powder diffraction dataLumateperone tosylatesolid-state formpreferred orientation

Information

Type
New Diffraction Data
Information
Powder Diffraction , Volume 40 , Issue 1 , March 2025 , pp. 94 - 98
Check for updates
Copyright
© The Author(s), 2023. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

REFERENCES

Blair, H. A. 2020. “Lumateperone: First Approval.” Drugs 80 (4): 417–23. doi:10.1007/s40265-020-01271-6CrossRefGoogle ScholarPubMed
Brandenburg, K., and Putz, H.. 2005. Diamond-Crystal and Molecular Structure Visualization. Bonn, Germany, Crystal Impact GbR.Google Scholar
Cao, D., Yu, J., Wang, H., Luo, Z., Liu, X., He, L., Qi, J., Fan, L., Tang, L., Chen, Z., Li, J., Cheng, J., and Wang, S.. 2022. “Structure-Based Discovery of Nonhallucinogenic Psychedelic Analogs.” Science 375 (6579): 403–11. doi:10.1126/science.abl8615CrossRefGoogle ScholarPubMed
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., and Puschmann, H.. 2009. “OLEX2: A Complete Structure Solution, Refinement and Analysis Program.” Journal of Applied Crystallography 42 (2): 339–41. doi:10.1107/s0021889808042726CrossRefGoogle Scholar
Frampton, J. E. 2020. “Lumateperone in Schizophrenia: A Profile of its Use.” Drugs & Therapy Perspectives 36 (11): 477–84. doi:10.1007/s40267-020-00780-4CrossRefGoogle Scholar
Gates-Rector, S., and Blanton, T.. 2019. “The Powder Diffraction File: A Quality Materials Characterization Database.” Powder Diffraction 34 (4): 352–60. doi:10.1017/s0885715619000812CrossRefGoogle Scholar
Greenwood, J., Acharya, R. B., Marcellus, V., and Rey, J. A.. 2021. “Lumateperone: A Novel Antipsychotic for Schizophrenia.” Annals of Pharmacotherapy 55 (1): 98–104. doi:10.1177/1060028020936597CrossRefGoogle ScholarPubMed
Groom, C. R., Bruno, I. J., Lightfoot, M. P., and Ward, S. C.. 2016. “The Cambridge Structural Database.” Acta Crystallographica Section B: Structural Science 72: 171–79. doi:10.1107/S2052520616003954.CrossRefGoogle ScholarPubMed
Janton, N., Cerić, H., Matečić, M. S., Mrsic, N., Lerman, L., Momcilovic, T. D., Sagud, I., and Jegorov, A.. 2016. Solid State Forms of Lumateperone Ditosylate Salt. WO2018031535A1.Google Scholar
Janton, N., Cerić, H., Matečić, M. S., Mrsic, N., Lerman, L., Momcilovic, T. D., Sagud, I., and Jegorov, A.. 2018. Solid State Forms of Lumateperone Salts and Processes for Preparation of Lumateperone and Salts Thereof. WO2020112941A2.Google Scholar
Kumar, B., Kuhad, A., and Kuhad, A.. 2018. “Lumateperone: A New Treatment Approach for Neuropsychiatric Disorders.” Drugs Today 54 (12): 713–19. doi:10.1358/2018.54.12.2899443CrossRefGoogle ScholarPubMed
Lengauer, H., Pichler, A., and Margreiter, R.. 2019. Crystalline Salt of A 5-HT2A Receptor Antagonist. WO2020182978A1.Google Scholar
Li, P., and Wennogle, L. P.. 2017. Novel Salts and Crystals. WO2019067591A1.Google Scholar
Maini, K., Hollier, J. W., Gould, H., Bollich, V., John LaForge, J., Cornett, E. M., Edinoff, A. N., Kaye, A. M., and Kaye, A. D.. 2021. “Lumateperone Tosylate, A Selective and Concurrent Modulator of Serotonin, Dopamine, and Glutamate, in the Treatment of Schizophrenia.” Health Psychology Research 9 (1): 24932. doi:10.52965/001c.24932CrossRefGoogle ScholarPubMed
Materials Data Inc., (MDI). 2009. Jade 9.4 XRD pattern processing software.Google Scholar
Mazza, M., Marano, G., Traversi, G., Sani, G., and Janiri, L.. 2020. “Evidence on the New Drug Lumateperone (ITI-007) for Psychiatric and Neurological Disorders.” CNS & Neurological Disorders Drug Targets. 19 (4): 243–47. doi:10.2174/1871527319666200601145653CrossRefGoogle ScholarPubMed
Pahwa, M., Sleem, A., Elsayed, O. H., Good, M. E., and El-Mallakh, R. S.. 2021. “New Antipsychotic Medications in the Last Decade.” Current Psychiatry Reports 23 (12): 87. doi:10.1007/s11920-021-01298-wCrossRefGoogle ScholarPubMed
Sheldrick, G. M. 2015a. “SHELXT – Integrated Space-Group and Crystal-Structure Determination.” Acta Crystallographica. Section A, Foundations and Advances 71: 3–8. doi:10.1107/S2053273314026370CrossRefGoogle ScholarPubMed
Sheldrick, G. M. 2015b. “Crystal Structure Refinement with SHELXL.” Acta Crystallographica. Section C, Structural Chemistry 71: 3–8. doi:10.1107/S2053229614024218CrossRefGoogle ScholarPubMed
Smith, G. S., and Snyder, R. L.. 1979. “FN: A Criterion for Rating Powder Diffraction Patterns and Evaluating the Reliability of Powder-Pattern Indexing.” Journal of Applied Crystallography 12 (1): 60–65. doi:10.1107/s002188987901178xCrossRefGoogle Scholar
Syed, A. B., and Brasic, J. R.. 2021. “The Role of Lumateperone in the Treatment of Schizophrenia.” Therapeutic Advances in Psychopharmacology 11: 1–4. doi:10.1177/20451253211034019CrossRefGoogle ScholarPubMed
Titulaer, J., Radhe, O., Danielsson, K., Dutheil, S., Marcus, M. M., Jardemark, K., Svensson, T. H., Snyder, G. L., Ericson, M., Davis, R. E., and Konradsson-Geuken, A.. 2022. “Lumateperone-Mediated Effects on Prefrontal Glutamatergic Receptor-Mediated Neurotransmission: A Dopamine D(1) Receptor Dependent Mechanism.” European Neuropsychopharmacology 62: 22–35. doi:10.1016/j.euroneuro.2022.06.009CrossRefGoogle ScholarPubMed
Wennogle, L. P., and Tomesch, J.. 2008. Substituted Heterocycle Fused Gamma-carbolines Solid. WO2009114181A2.Google Scholar
Wennogle, L. P., Li, P., and Aret, E.. 2016. Novel Salts and Crystals. WO2017172784A1.Google Scholar
Supplementary material: File

Liu et al. supplementary material

Liu et al. supplementary material

Download Liu et al. supplementary material(File)
File 312.2 KB