Bavarostat | CAS#2134109-20-7 | HDAC6 inhibitor

MedKoo Cat#: 408031 | Name: Bavarostat

Description:

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

Bavarostata is a highly brain penetrant HDAC6 inhibitor (IC50=60nM). Bavarostat exhibits excellent HDAC6 selectivity (>80-fold over all other Zn-containing HDAC paralogues), modulates tubulin acetylation selectively over histone acetylation, and has excellent brain penetrance.

Chemical Structure

Bavarostat

CAS#2134109-20-7

Theoretical Analysis

MedKoo Cat#: 408031

Name: Bavarostat

CAS#: 2134109-20-7

Chemical Formula: C20H27FN2O2

Exact Mass: 346.2057

Molecular Weight: 346.45

Elemental Analysis: C, 69.34; H, 7.86; F, 5.48; N, 8.09; O, 9.24

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.

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Related CAS #

2134109-20-7 2168560-80-1 (18F-labeled)

Synonym

Bavarostat

IUPAC/Chemical Name

4-(((((3r,5r,7r)-adamantan-1-yl)methyl)(methyl)amino)methyl)-3-fluoro-N-hydroxybenzamide

InChi Key

IGZQZELTOHAHNW-XLWGHNRJSA-N

InChi Code

InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20?

SMILES Code

CN(CC1=CC=C(C(NO)=O)C=C1F)CC23C[C@@H](C[C@H]4C3)C[C@@H](C4)C2

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

>3 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

Histone deacetylase 6 (HDAC6) function and dysregulation have been implicated in the etiology of certain cancers and more recently in central nervous system (CNS) disorders including Rett syndrome, Alzheimer's and Parkinson's diseases, and major depressive disorder. HDAC6-selective inhibitors have therapeutic potential, but in the CNS drug space the development of highly brain penetrant HDAC inhibitors has been a persistent challenge. Moreover, no tool exists to directly characterize HDAC6 and its related biology in the living human brain.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 346.45 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.

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: Strebl MG, Campbell AJ, Zhao WN, Schroeder FA, Riley MM, Chindavong PS, Morin TM, Haggarty SJ, Wagner FF, Ritter T, Hooker JM. HDAC6 Brain Mapping with [(18)F]Bavarostat Enabled by a Ru-Mediated Deoxyfluorination. ACS Cent Sci. 2017 Sep 27;3(9):1006-1014. doi: 10.1021/acscentsci.7b00274. Epub 2017 Sep 6. PubMed PMID: 28979942; PubMed Central PMCID: PMC5620987.