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