MedKoo Cat#: 562539 | Name: VMAT2-IN-I HCl

Description:

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

VMAT2-IN-I HCl is a vesicular monoamine transporter-2 (VMAT2) inhibitor, with 15-​fold greater affinity than GZ-​793A.

Chemical Structure

VMAT2-IN-I HCl
VMAT2-IN-I HCl
CAS#1436695-49-6

Theoretical Analysis

MedKoo Cat#: 562539

Name: VMAT2-IN-I HCl

CAS#: 1436695-49-6

Chemical Formula: C25H32ClF4NO4

Exact Mass:

Molecular Weight: 521.97

Elemental Analysis: C, 57.53; H, 6.18; Cl, 6.79; F, 14.56; N, 2.68; O, 12.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
VMAT2-IN-I HCl; VMAT2 IN I HCl; VMAT2INI HCl; VMAT2 IN I Hydrochloride; VMAT2INI Hydrochloride; VMAT2-IN-I Hydrochloride;
IUPAC/Chemical Name
3-{2(S),5(R)-Bis-[2-(4-difluoromethoxy-phenyl)-ethyl]-pyrrolidin-1-yl}-propane-1,2(R)-diol Hydrochloride
InChi Key
IUOHFZVLXJSQCL-SXWPHCFWSA-N
InChi Code
InChI=1S/C25H31F4NO4.ClH/c26-24(27)33-22-11-3-17(4-12-22)1-7-19-9-10-20(30(19)15-21(32)16-31)8-2-18-5-13-23(14-6-18)34-25(28)29;/h3-6,11-14,19-21,24-25,31-32H,1-2,7-10,15-16H2;1H/t19-,20+,21-;/m1./s1
SMILES Code
OC[C@H](O)CN1[C@@H](CCC2=CC=C(OC(F)F)C=C2)CC[C@H]1CCC3=CC=C(OC(F)F)C=C3.[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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 521.97 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
1: Citrome L. Reprint of: Clinical management of tardive dyskinesia: Five steps to success. J Neurol Sci. 2018 Jun 15;389:61-66. doi: 10.1016/j.jns.2018.02.037. Epub 2018 Feb 28. Review. PubMed PMID: 29519687. 2: Dean M, Sung VW. Review of deutetrabenazine: a novel treatment for chorea associated with Huntington's disease. Drug Des Devel Ther. 2018 Feb 15;12:313-319. doi: 10.2147/DDDT.S138828. eCollection 2018. Review. PubMed PMID: 29497277; PubMed Central PMCID: PMC5818866. 3: Hauser RA, Truong D. Tardive dyskinesia: Out of the shadows. J Neurol Sci. 2018 Jun 15;389:1-3. doi: 10.1016/j.jns.2018.02.009. Epub 2018 Feb 5. Review. PubMed PMID: 29449008. 4: Scorr LM, Factor SA. VMAT2 inhibitors for the treatment of tardive dyskinesia. J Neurol Sci. 2018 Jun 15;389:43-47. doi: 10.1016/j.jns.2018.02.006. Epub 2018 Feb 5. Review. PubMed PMID: 29433808. 5: Lin CC, Ondo WG. Non-VMAT2 inhibitor treatments for the treatment of tardive dyskinesia. J Neurol Sci. 2018 Jun 15;389:48-54. doi: 10.1016/j.jns.2018.02.014. Epub 2018 Feb 5. Review. PubMed PMID: 29433806. 6: 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. 7: Citrome L. Clinical management of tardive dyskinesia: Five steps to success. J Neurol Sci. 2017 Dec 15;383:199-204. doi: 10.1016/j.jns.2017.11.019. Epub 2017 Nov 16. Review. PubMed PMID: 29246613. 8: Citrome L. Deutetrabenazine 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 Nov;71(11). doi: 10.1111/ijcp.13030. Epub 2017 Oct 12. Review. PubMed PMID: 29024264. 9: Kim ES. Valbenazine: First Global Approval. Drugs. 2017 Jul;77(10):1123-1129. doi: 10.1007/s40265-017-0770-9. Review. PubMed PMID: 28578484. 10: 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. 11: 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. 12: 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. 13: Jankovic J. Dopamine depleters in the treatment of hyperkinetic movement disorders. Expert Opin Pharmacother. 2016 Dec;17(18):2461-2470. Review. PubMed PMID: 27819145. 14: Wimalasena K. Vesicular monoamine transporters: structure-function, pharmacology, and medicinal chemistry. Med Res Rev. 2011 Jul;31(4):483-519. doi: 10.1002/med.20187. Epub 2010 Feb 4. Review. PubMed PMID: 20135628; PubMed Central PMCID: PMC3019297.