Valbenazine tosylate
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MedKoo CAT#: 558281

CAS#: 1639208-54-0 (tosylayte)

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.


Chemical Structure

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Valbenazine tosylate
CAS# 1639208-54-0 (tosylayte)

Theoretical Analysis

MedKoo Cat#: 558281
Name: Valbenazine tosylate
CAS#: 1639208-54-0 (tosylayte)
Chemical Formula: C38H54N2O10S2
Exact Mass:
Molecular Weight: 762.974
Elemental Analysis: C, 59.82; H, 7.13; N, 3.67; O, 20.97; S, 8.40

Price and Availability

Size Price Availability Quantity
5.0mg USD 350.0 2 Weeks
10.0mg USD 550.0 2 Weeks
25.0mg USD 950.0 2 Weeks
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Related CAS #: 1025504-45-3 (free base)   1639208-54-0 (tosylate)   1639208-51-7 (2HCl)  

Synonym: Valbenazine tosylate; NBI-98854; NBI 98854; NBI98854; MT-5199; MT 5199; MT5199; NBI-98854 ditosylate; Valbenazine ditosylate; Valbenazine tosylate; Ingrezza;

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 di(4-methylbenzenesulfonate)

InChi Key: BXGKAGLZHGYAMW-TZYFFPFWSA-N

InChi Code: InChI=1S/C24H38N2O4.2C7H8O3S/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;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/t17-,19-,20-,23+;;/m1../s1

SMILES Code: O=S(C1=CC=C(C)C=C1)(O)=O.O=S(C2=CC=C(C)C=C2)(O)=O.N[C@@H](C(C)C)C(O[C@@H]([C@H](CC(C)C)C3)C[C@@]4([H])N3CCC5=C4C=C(OC)C(OC)=C5)=O

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: >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

Preparing Stock Solutions

The following data is based on the product molecular weight 762.974 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

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1: Patel RS, Mansuri Z, Motiwala F, Saeed H, Jannareddy N, Patel H, Zafar MK. A systematic review on treatment of tardive dyskinesia with valbenazine and deutetrabenazine. Ther Adv Psychopharmacol. 2019 May 20;9:2045125319847882. doi: 10.1177/2045125319847882. eCollection 2019. Review. PubMed PMID: 31205680; PubMed Central PMCID: PMC6535739.

2: Stahl SM. Comparing pharmacologic mechanism of action for the vesicular monoamine transporter 2 (VMAT2) inhibitors valbenazine and deutetrabenazine in treating tardive dyskinesia: does one have advantages over the other? CNS Spectr. 2018 Aug;23(4):239-247. doi: 10.1017/S1092852918001219. Review. PubMed PMID: 30160230.

3: Touma KTB, Scarff JR. Valbenazine and Deutetrabenazine for Tardive Dyskinesia. Innov Clin Neurosci. 2018 Jun 1;15(5-6):13-16. Review. PubMed PMID: 30013814; PubMed Central PMCID: PMC6040721.

4: Harriott ND, Williams JP, Smith EB, Bozigian HP, Grigoriadis DE. VMAT2 Inhibitors and the Path to Ingrezza (Valbenazine). Prog Med Chem. 2018;57(1):87-111. doi: 10.1016/bs.pmch.2017.12.002. Epub 2018 Mar 7. Review. PubMed PMID: 29680151.

5: Sarva H, Henchcliffe C. Valbenazine as the first and only approved treatment for adults with tardive dyskinesia. Expert Rev Clin Pharmacol. 2018 Mar;11(3):209-217. doi: 10.1080/17512433.2018.1429264. Epub 2018 Jan 23. Review. PubMed PMID: 29338466.

6: Müller T. Valbenazine for the treatment of tardive dyskinesia. Expert Rev Neurother. 2017 Dec;17(12):1135-1144. doi: 10.1080/14737175.2017.1386556. Epub 2017 Oct 12. Review. PubMed PMID: 28971695.

7: 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.

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

9: 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.

10: 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.