Valbenazine free base
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MedKoo CAT#: 319684

CAS#: 1025504-45-3 (free base)

Description: Valbenazine, also known as NBI-98854 and MT-5199, is a potent and selective VMAT2 inhibitor. NBI-98854 is effective in regulating the levels of dopamine release during nerve communication, while at the same time having minimal impact on the other monoamines. NBI-98854 is promising agent for the treatment of tardive dyskinesia.NBI-98854 significantly improved tardive dyskinesia and was well tolerated in patients. These results support the phase 3 clinical trials of NBI-98854 now underway.


Price and Availability

Size
Price

1g
USD 4250
Size
Price

2g
USD 5950
Size
Price

5g
USD 9650

Valbenazine free base is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 319684
Name: Valbenazine free base
CAS#: 1025504-45-3 (free base)
Chemical Formula: C24H38N2O4
Exact Mass: 418.2832
Molecular Weight: 418.578
Elemental Analysis: C, 68.87; H, 9.15; N, 6.69; O, 15.29


Related CAS #: 1025504-45-3 (free base)   1639208-54-0 (tosylayte)   1639208-51-7 (2HCl)  

Synonym: NBI-98854; NBI 98854; NBI98854; MT-5199; MT 5199; MT5199; Valbenazine

IUPAC/Chemical Name: (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate

InChi Key: GEJDGVNQKABXKG-CFKGEZKQSA-N

InChi Code: InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1

SMILES Code: N[C@@H](C(C)C)C(O[C@H]1[C@H](CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3[C@@]2([H])C1)=O


Technical Data

Appearance:
White to off-white crystalline 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).

Harmonized System Code:
293490


Additional Information

Related CAS#
1025504-45-3 (Valbenazine free base)
1639208-54-0 (Valbenazine tartrate)
1639208-51-7 (Valbenazine dihydrochloride)


References

1: O'Brien CF, Jimenez R, Hauser RA, Factor SA, Burke J, Mandri D, Castro-Gayol JC. NBI-98854, a selective monoamine transport inhibitor for the treatment of tardive dyskinesia: A randomized, double-blind, placebo-controlled study. Mov Disord. 2015 Oct;30(12):1681-7. doi: 10.1002/mds.26330. Epub 2015 Sep 8. PubMed PMID: 26346941; PubMed Central PMCID: PMC5049616.

2: Barquero N. Valbenazine for the treatment of tardive dyskinesia. Drugs Today (Barc). 2016 Dec;52(12):665-672. doi: 10.1358/dot.2016.52.12.2570977. Review. PubMed PMID: 28276538.

3: Müller T. Valbenazine granted breakthrough drug status for treating tardive dyskinesia. Expert Opin Investig Drugs. 2015 Jun;24(6):737-42. doi: 10.1517/13543784.2015.1029573. Epub 2015 Mar 25. PubMed PMID: 25809133.

4: Grigoriadis DE, Smith E, Hoare SRJ, Madan A, Bozigian H. Pharmacologic Characterization of Valbenazine (NBI-98854) and Its Metabolites. J Pharmacol Exp Ther. 2017 Jun;361(3):454-461. doi: 10.1124/jpet.116.239160. Epub 2017 Apr 12. PubMed PMID: 28404690.

5: Meyer JM. Forgotten but not gone: new developments in the understanding and treatment of tardive dyskinesia. CNS Spectr. 2016 Dec;21(S1):13-24. doi: 10.1017/S1092852916000730. Review. PubMed PMID: 28044943.

6: Jankovic J. Dopamine depleters in the treatment of hyperkinetic movement disorders. Expert Opin Pharmacother. 2016 Dec;17(18):2461-2470. Review. PubMed PMID: 27819145.

7: Citrome L. Emerging pharmacological therapies in schizophrenia: what's new, what's different, what's next? CNS Spectr. 2016 Dec;21(S1):1-12. doi: 10.1017/S1092852916000729. Review. PubMed PMID: 28044942.

8: Hauser RA, Factor SA, Marder SR, Knesevich MA, Ramirez PM, Jimenez R, Burke J, Liang GS, O'Brien CF. KINECT 3: A Phase 3 Randomized, Double-Blind, Placebo-Controlled Trial of Valbenazine for Tardive Dyskinesia. Am J Psychiatry. 2017 May 1;174(5):476-484. doi: 10.1176/appi.ajp.2017.16091037. Epub 2017 Mar 21. PubMed PMID: 28320223.

9: Garay RP, Citrome L, Samalin L, Liu CC, Thomsen MS, Correll CU, Hameg A, Llorca PM. Therapeutic improvements expected in the near future for schizophrenia and schizoaffective disorder: an appraisal of phase III clinical trials of schizophrenia-targeted therapies as found in US and EU clinical trial registries. Expert Opin Pharmacother. 2016;17(7):921-36. doi: 10.1517/14656566.2016.1149164. Epub 2016 Feb 19. Review. PubMed PMID: 26831200.

10: Kane JM, Correll CU, Liang GS, Burke J, O'Brien CF. Efficacy of Valbenazine (NBI-98854) in Treating Subjects with Tardive Dyskinesia and Schizophrenia or Schizoaffective Disorder. Psychopharmacol Bull. 2017 Aug 1;47(3):69-76. PubMed PMID: 28839342; PubMed Central PMCID: PMC5546553.

11: Freudenreich O, Remington G. Valbenazine for Tardive Dyskinesia. Clin Schizophr Relat Psychoses. Summer 2017;11(2):113-119. doi: 10.3371/CSRP.OFGR.071717. Review. PubMed PMID: 28742396.

12: Correll CU, Josiassen RC, Liang GS, Burke J, O'Brien CF. Efficacy of Valbenazine (NBI-98854) in Treating Subjects with Tardive Dyskinesia and Mood Disorder. Psychopharmacol Bull. 2017 Aug 1;47(3):53-60. PubMed PMID: 28839340; PubMed Central PMCID: PMC5546551.

13: Kim ES. Valbenazine: First Global Approval. Drugs. 2017 Jul;77(10):1123-1129. doi: 10.1007/s40265-017-0770-9. Review. PubMed PMID: 28578484.

14: Davis MC, Miller BJ, Kalsi JK, Birkner T, Mathis MV. Efficient Trial Design - FDA Approval of Valbenazine for Tardive Dyskinesia. N Engl J Med. 2017 Jun 29;376(26):2503-2506. doi: 10.1056/NEJMp1704898. Epub 2017 May 10. PubMed PMID: 28489481.

15: Seeberger LC, Hauser RA. Valbenazine for the treatment of tardive dyskinesia. Expert Opin Pharmacother. 2017 Aug;18(12):1279-1287. doi: 10.1080/14656566.2017.1353078. Epub 2017 Aug 2. PubMed PMID: 28699794.

16: Citrome L. Valbenazine for tardive dyskinesia: A systematic review of the efficacy and safety profile for this newly approved novel medication-What is the number needed to treat, number needed to harm and likelihood to be helped or harmed? Int J Clin Pract. 2017 Jul;71(7). doi: 10.1111/ijcp.12964. Epub 2017 May 12. Review. PubMed PMID: 28497864.

17: Josiassen RC, Kane JM, Liang GS, Burke J, O'Brien CF. Long-Term Safety and Tolerability of Valbenazine (NBI-98854) in Subjects with Tardive Dyskinesia and a Diagnosis of Schizophrenia or Mood Disorder. Psychopharmacol Bull. 2017 Aug 1;47(3):61-68. PubMed PMID: 28839341; PubMed Central PMCID: PMC5546552.

18: Witter DP, Holbert RC, Suryadevara U. Pharmacotherapy for the treatment of tardive dyskinesia in schizophrenia patients. Expert Opin Pharmacother. 2017 Jul;18(10):965-972. doi: 10.1080/14656566.2017.1323874. Epub 2017 May 8. PubMed PMID: 28443349.

19: Valbenazine (Ingrezza) for tardive dyskinesia. Med Lett Drugs Ther. 2017 May 22;59(1521):83-84. PubMed PMID: 28520698.

20: Traynor K. Valbenazine approved for treatment of tardive dyskinesia. Am J Health Syst Pharm. 2017 May 15;74(10):628-629. doi: 10.2146/news170031. PubMed PMID: 28483934.