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MedKoo Cat#: 317111 | Name: Brexpiprazole
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Description:

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

Brexpiprazole, also known as OPC-34712, is a novel D2 dopamine partial agonist called serotonin-dopamine activity modulator (SDAM) approved for the treatment of schizophrenia, and as an adjunctive treatment for depression. Although it failed Phase II clinical trials for ADHD, it has been designed to provide improved efficacy and tolerability (e.g., less akathisia, restlessness and/or insomnia) over established adjunctive treatments for major depressive disorder (MDD). Brexpiprazole was approved on 7/10/2015 to treat schizophrenia and as an add on to an antidepressant to treat major depressive disorder

Chemical Structure

Brexpiprazole
Brexpiprazole
CAS#913611-97-9

Theoretical Analysis

MedKoo Cat#: 317111

Name: Brexpiprazole

CAS#: 913611-97-9

Chemical Formula: C25H27N3O2S

Exact Mass: 433.1824

Molecular Weight: 433.57

Elemental Analysis: C, 69.26; H, 6.28; N, 9.69; O, 7.38; S, 7.39

Price and Availability

Size Price Availability Quantity
25mg USD 150.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 450.00 Ready to ship
200mg USD 750.00 Ready to ship
500mg USD 1,650.00 Ready to ship
1g USD 2,950.00 Ready to ship
2g USD 5,250.00 Ready to ship
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Related CAS #
No Data
Synonym
OPC-34712; OPC 34712; OPC34712; Brexpiprazole; brand name Rexulti.
IUPAC/Chemical Name
7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
InChi Key
ZKIAIYBUSXZPLP-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
SMILES Code
O=C1NC2=C(C=CC(OCCCCN3CCN(C4=C5C=CSC5=CC=C4)CC3)=C2)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
Soluble in DMSO, not in water
Shelf Life
>2 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
2934.99.9001
More Info
Biological target:
Brexpiprazole (OPC-34712), an atypical antipsychotic drug, is a partial agonist of human 5-HT1A and dopamine receptor with Kis of 0.12 nM and 0.3 nM, respectively.
In vitro activity:
To examine whether brexpiprazole has inhibitory effects on cancer cell lines, three representative cancer cell lines (A549, PANC-1, and PSN-1) were treated with brexpiprazole for 3 days, and then subjected to cell viability assays. Brexpiprazole induced cell death and growth inhibition in the three cell lines (Figure 1A). Next, whether brexpiprazole has inhibitory effects on CSCs was examined. Four representative CSCs (A549 CSLC, PANC-1 CSLC, PSN-1 CSLC, and GS-Y03) were treated with brexpiprazole, and they were subjected to cell viability assays. Brexpiprazole induced cell death and growth inhibition in the CSCs (Figure 1B). The toxicity of brexpiprazole in non-cancer cells was also examined. Non-cancer cells (normal human fibroblasts [IMR-90] and rat cortical stem cells) were treated with brexpiprazole for 3 days, and then subjected them to cell viability assays. Brexpiprazole was not toxic to the normal cells at the examined concentrations (Figure 1C). These results suggest that brexpiprazole is not toxic to normal cells, but has cancer cell- and CSC-specific cytotoxic and growth-inhibitory effects. Reference: Oncotarget. 2019 May 28;10(37):3547-3558. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6544401/
In vivo activity:
The anti-tumor effects of brexpiprazole were evaluated in vivo. Mice in which PANC-1 CSLC cells were subcutaneously transplanted were treated with brexpiprazole. Brexpiprazole significantly suppressed the growth of the tumors (Figure 5A), but did not alter the body weight (Figure 5B). No notable adverse effects were observed. The expression of Sox2, a representative stemness marker, and survivin was reduced by brexpiprazole administration (Figure 5C and 5D). Reference: Oncotarget. 2019 May 28;10(37):3547-3558. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6544401/
Solvent mg/mL mM
Solubility
DMSO 24.7 56.90
DMF 30.0 69.19
DMF:PBS (pH 7.2) (1:7) 0.1 0.28
Ethanol 1.0 2.31
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 433.57 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
Formulation protocol:
1. Suzuki S, Yamamoto M, Togashi K, Sanomachi T, Sugai A, Seino S, Yoshioka T, Kitanaka C, Okada M. In vitro and in vivo anti-tumor effects of brexpiprazole, a newly-developed serotonin-dopamine activity modulator with an improved safety profile. Oncotarget. 2019 May 28;10(37):3547-3558. doi: 10.18632/oncotarget.26949. PMID: 31191825; PMCID: PMC6544401.
In vitro protocol:
1. Suzuki S, Yamamoto M, Togashi K, Sanomachi T, Sugai A, Seino S, Yoshioka T, Kitanaka C, Okada M. In vitro and in vivo anti-tumor effects of brexpiprazole, a newly-developed serotonin-dopamine activity modulator with an improved safety profile. Oncotarget. 2019 May 28;10(37):3547-3558. doi: 10.18632/oncotarget.26949. PMID: 31191825; PMCID: PMC6544401.
In vivo protocol:
1. Suzuki S, Yamamoto M, Togashi K, Sanomachi T, Sugai A, Seino S, Yoshioka T, Kitanaka C, Okada M. In vitro and in vivo anti-tumor effects of brexpiprazole, a newly-developed serotonin-dopamine activity modulator with an improved safety profile. Oncotarget. 2019 May 28;10(37):3547-3558. doi: 10.18632/oncotarget.26949. PMID: 31191825; PMCID: PMC6544401.
1: Jackowiak EM, Chou KL. Severe parkinsonism caused by brexpiprazole: A case report. Parkinsonism Relat Disord. 2019 Nov 13;69:138-139. doi: 10.1016/j.parkreldis.2019.11.013. [Epub ahead of print] PubMed PMID: 31756572. 2: Yoshimura Y, Shimizu H, Yamashita R, Washida K, Takeda T, Aoki S. Association between previous high-dose antipsychotic therapy and brexpiprazole discontinuation after the initiation of brexpiprazole in patients with schizophrenia or schizoaffective disorder. Int Clin Psychopharmacol. 2019 Nov 15. doi: 10.1097/YIC.0000000000000296. [Epub ahead of print] PubMed PMID: 31743231. 3: Suzuki M, Niidome K, Maeda K, Kikuchi T, Usami T, Futamura T. [Preclinical pharmacological profiles and clinical efficacy of the novel antipsychotic drug brexpiprazole (REXULTI(®) Tablets 1 mg, 2 mg)]. Nihon Yakurigaku Zasshi. 2019;154(5):275-287. doi: 10.1254/fpj.154.275. Japanese. PubMed PMID: 31735758. 4: Grossberg GT, Kohegyi E, Mergel V, Josiassen MK, Meulien D, Hobart M, Slomkowski M, Baker RA, McQuade RD, Cummings JL. Efficacy and Safety of Brexpiprazole for the Treatment of Agitation in Alzheimer's Dementia: Two 12-Week, Randomized, Double-Blind, Placebo-Controlled Trials. Am J Geriatr Psychiatry. 2019 Oct 1. pii: S1064-7481(19)30521-4. doi: 10.1016/j.jagp.2019.09.009. [Epub ahead of print] PubMed PMID: 31708380. 5: Sanagawa A, Shiraishi N, Sekiguchi F, Akechi T, Kimura K. Successful Use of Brexpiprazole for Parkinson's Disease Psychosis Without Adverse Effects: A Case Report. J Clin Psychopharmacol. 2019 Nov/Dec;39(6):685-687. doi: 10.1097/JCP.0000000000001127. PubMed PMID: 31688389. 6: Okada T, Kumakura J, Yasuda M, Suda S. Treatment-resistant schizophrenia successfully maintained with brexpiprazole following abrupt withdrawal of clozapine due to neutropenia. Asian J Psychiatr. 2019 Oct 18;47:101836. doi: 10.1016/j.ajp.2019.10.016. [Epub ahead of print] PubMed PMID: 31677398. 7: Citrome L, Ouyang J, Shi L, Meehan SR, Baker RA, Weiss C. Effect of Brexpiprazole on Agitation and Hostility in Patients With Schizophrenia: Post Hoc Analysis of Short- and Long-Term Studies. J Clin Psychopharmacol. 2019 Nov/Dec;39(6):597-603. doi: 10.1097/JCP.0000000000001113. PubMed PMID: 31652166. 8: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from http://www.ncbi.nlm.nih.gov/books/NBK548464/ PubMed PMID: 31643783. 9: Newcomer JW, Eriksson H, Zhang P, Meehan SR, Weiss C. Changes in Metabolic Parameters and Body Weight in Patients With Major Depressive Disorder Treated With Adjunctive Brexpiprazole: Pooled Analysis of Phase 3 Clinical Studies. J Clin Psychiatry. 2019 Oct 1;80(6). pii: 18m12680. doi: 10.4088/JCP.18m12680. PubMed PMID: 31577867. 10: Chen B, Zhang XD, Wen J, Zhang B, Chen D, Wang S, Cai JP, Hu GX. Effects of 26 Recombinant CYP3A4 Variants on Brexpiprazole Metabolism. Chem Res Toxicol. 2019 Oct 17. doi: 10.1021/acs.chemrestox.9b00186. [Epub ahead of print] PubMed PMID: 31560202. 11: Sanomachi T, Suzuki S, Togashi K, Seino S, Yoshioka T, Kitanaka C, Okada M, Yamamoto M. Brexpiprazole Reduces Survivin and Reverses EGFR Tyrosine Kinase Inhibitor Resistance in Lung and Pancreatic Cancer. Anticancer Res. 2019 Sep;39(9):4817-4828. doi: 10.21873/anticanres.13667. PubMed PMID: 31519584. 12: Amada N, Akazawa H, Ohgi Y, Maeda K, Sugino H, Kurahashi N, Kikuchi T, Futamura T. Brexpiprazole has a low risk of dopamine D(2) receptor sensitization and inhibits rebound phenomena related to D(2) and serotonin 5-HT(2A) receptors in rats. Neuropsychopharmacol Rep. 2019 Sep 5. doi: 10.1002/npr2.12076. [Epub ahead of print] PubMed PMID: 31487433. 13: Fornaro M, Fusco A, Anastasia A, Cattaneo CI, De Berardis D. Brexpiprazole for treatment-resistant major depressive disorder. Expert Opin Pharmacother. 2019 Nov;20(16):1925-1933. doi: 10.1080/14656566.2019.1654457. Epub 2019 Aug 20. PubMed PMID: 31431092. 14: Cha DS, Luo X, Ahmed J, Becirovic L, Cha RH, McIntyre RS. Brexpiprazole as an augmentation agent to antidepressants in treatment resistant major depressive disorder. Expert Rev Neurother. 2019 Sep;19(9):777-783. doi: 10.1080/14737175.2019.1653759. Epub 2019 Aug 14. PubMed PMID: 31389279. 15: Davis JM. Commentary on: Corponi F., Fabbri C, Bitter, I. Montgomery, S., Vieta, E., Kaspar, S., Pallanti S., Serretti A. Novel antipsychotics specificity profile: A clinically oriented review of lurasidone, brexpiprazole, cariprazine and lumateperone. Eur Neuropsychopharmacol. 2019 Sep;29(9):1061-1062. doi: 10.1016/j.euroneuro.2019.07.001. Epub 2019 Jul 29. PubMed PMID: 31371104. 16: Kishi T, Sakuma K, Nomura I, Matsuda Y, Mishima K, Iwata N. Brexpiprazole as Adjunctive Treatment for Major Depressive Disorder Following Treatment Failure With at Least One Antidepressant in the Current Episode: a Systematic Review and Meta-Analysis. Int J Neuropsychopharmacol. 2019 Nov 1;22(11):698-709. doi: 10.1093/ijnp/pyz040. PubMed PMID: 31350882; PubMed Central PMCID: PMC6872963. 17: Thase ME, Zhang P, Weiss C, Meehan SR, Hobart M. Efficacy and safety of brexpiprazole as adjunctive treatment in major depressive disorder: overview of four short-term studies. Expert Opin Pharmacother. 2019 Oct;20(15):1907-1916. doi: 10.1080/14656566.2019.1638913. Epub 2019 Jul 10. Review. PubMed PMID: 31290344. 18: Suzuki S, Yamamoto M, Sanomachi T, Togashi K, Sugai A, Seino S, Yoshioka T, Kitanaka C, Okada M. Brexpiprazole, a Serotonin-Dopamine Activity Modulator, Can Sensitize Glioma Stem Cells to Osimertinib, a Third-Generation EGFR-TKI, via Survivin Reduction. Cancers (Basel). 2019 Jul 5;11(7). pii: E947. doi: 10.3390/cancers11070947. PubMed PMID: 31284441; PubMed Central PMCID: PMC6679129. 19: Corponi F, Fabbri C, Bitter I, Montgomery S, Vieta E, Kasper S, Pallanti S, Serretti A. Novel antipsychotics specificity profile: A clinically oriented review of lurasidone, brexpiprazole, cariprazine and lumateperone. Eur Neuropsychopharmacol. 2019 Sep;29(9):971-985. doi: 10.1016/j.euroneuro.2019.06.008. Epub 2019 Jun 27. Review. PubMed PMID: 31255396. 20: Suzuki S, Yamamoto M, Togashi K, Sanomachi T, Sugai A, Seino S, Yoshioka T, Kitanaka C, Okada M. In vitro and in vivo anti-tumor effects of brexpiprazole, a newly-developed serotonin-dopamine activity modulator with an improved safety profile. Oncotarget. 2019 May 28;10(37):3547-3558. doi: 10.18632/oncotarget.26949. eCollection 2019 May 28. PubMed PMID: 31191825; PubMed Central PMCID: PMC6544401.

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