Valbenazine dihydrochloride

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MedKoo CAT#: 414291

CAS#: 1639208-51-7 (2HCl)

Description: Valbenazine dihydrochloride inhibits vesicular monoamine transporter 2 (VMAT2); used to treat tardive dyskinesia.

Chemical Structure

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Valbenazine dihydrochloride
CAS# 1639208-51-7 (2HCl)
Instruction

Theoretical Analysis

MedKoo Cat#: 414291
Name: Valbenazine dihydrochloride
CAS#: 1639208-51-7 (2HCl)
Chemical Formula: C24H40Cl2N2O4
Exact Mass: 490.24
Molecular Weight: 491.490
Elemental Analysis: C, 58.65; H, 8.20; Cl, 14.43; N, 5.70; O, 13.02

Price and Availability

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.

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

Synonym: Valbenazine dihydrochloride; NBI98854 dihydrochloride; NBI 98854 dihydrochloride; NBI-98854 dihydrochloride

IUPAC/Chemical Name: L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester, hydrochloride (1:2)

InChi Key: PMSGGBFTMLDQAW-TZYFFPFWSA-N

InChi Code: InChI=1S/C24H38N2O4.2ClH/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;2*1H/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.[H]Cl.[H]Cl

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 491.49 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:
In vitro protocol:
In vivo protocol:

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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.