MedKoo Cat#: 462849 | Name: NR-160
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Description:

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

NR-160 is a selective Histone Deacetylase 6 (HDAC6) Inhibitor with Bifurcated Capping Groups. NR-160 displayed only low cytotoxicity as a single agent against leukemia cell lines, it augmented the apoptosis induction of the proteasome inhibitor bortezomib in combination experiments significantly. Furthermore, a combinatorial high-throughput drug screen revealed significantly enhanced cytotoxicity when NR-160 was used in combination with epirubicin and daunorubicin. The synergistic effect in combination with bortezomib and anthracyclines highlights the potential of NR-160 in combination therapies.

Chemical Structure

NR-160
NR-160
CAS#2484895-50-1

Theoretical Analysis

MedKoo Cat#: 462849

Name: NR-160

CAS#: 2484895-50-1

Chemical Formula: C25H21F3N6O3

Exact Mass: 510.1627

Molecular Weight: 510.48

Elemental Analysis: C, 58.82; H, 4.15; F, 11.17; N, 16.46; O, 9.40

Price and Availability

Size Price Availability Quantity
1mg USD 250.00 2 Weeks
5mg USD 650.00 2 Weeks
10mg USD 1,050.00 2 Weeks
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Related CAS #
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Synonym
NR-160; NR160; NR 160;
IUPAC/Chemical Name
N-((1-benzyl-1H-tetrazol-5-yl)methyl)-N-(4-(hydroxycarbamoyl)benzyl)-2-(trifluoromethyl)benzamide
InChi Key
MEWDNULKAXEKII-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)
SMILES Code
O=C(NO)C1=CC=C(CN(CC2=NN=NN2CC3=CC=CC=C3)C(C4=CC=CC=C4C(F)(F)F)=O)C=C1
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
Product Data
Certificate of Analysis
Safety Data Sheet (SDS)
Biological target:
NR160 is a selective HDAC6 inhibitor with an IC50 value of 30 nM.
In vitro activity:
This study discovered the hit compound NR-160 by investigating the inhibition of recombinant HDAC enzymes and protein acetylation. A cocrystal structure of HDAC6 complexed with NR-160 disclosed that the steric complementarity of the bifurcated capping group of NR-160 to the L1 and L2 loop pockets may be responsible for its HDAC6-selective inhibition. While NR-160 displayed only low cytotoxicity as a single agent against leukemia cell lines, it augmented the apoptosis induction of the proteasome inhibitor bortezomib in combination experiments significantly. Reference: J Med Chem. 2020 Sep 24;63(18):10339-10351. https://pubmed.ncbi.nlm.nih.gov/32803970/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMF 30.0 58.77
DMSO 20.0 39.18
Ethanol 1.0 1.96
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 510.48 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:
1. Reßing N, Sönnichsen M, Osko JD, Schöler A, Schliehe-Diecks J, Skerhut A, Borkhardt A, Hauer J, Kassack MU, Christianson DW, Bhatia S, Hansen FK. Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups. J Med Chem. 2020 Sep 24;63(18):10339-10351. doi: 10.1021/acs.jmedchem.9b01888. Epub 2020 Sep 1. PMID: 32803970; PMCID: PMC7762828.
In vitro protocol:
1. Reßing N, Sönnichsen M, Osko JD, Schöler A, Schliehe-Diecks J, Skerhut A, Borkhardt A, Hauer J, Kassack MU, Christianson DW, Bhatia S, Hansen FK. Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups. J Med Chem. 2020 Sep 24;63(18):10339-10351. doi: 10.1021/acs.jmedchem.9b01888. Epub 2020 Sep 1. PMID: 32803970; PMCID: PMC7762828.
In vivo protocol:
TBD