Bavarostat

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MedKoo CAT#: 408031

CAS#: 2134109-20-7

Description: 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

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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: 346.4464
Elemental Analysis: C, 69.34; H, 7.86; F, 5.48; N, 8.09; O, 9.24

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 #: 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

Preparing Stock Solutions

The following data is based on the product molecular weight 346.4464 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: 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.



Additional Information

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.