PTACH (NCH-51)

Alias: NCH-51; NCH 51; NCH51. PTACH

Cat No.:V4578 Purity: ≥98%

COA Product Data Instructions for use SDS

PTACH (also known as NCH-51), a SAHA analog, is a novel and potent inhibitor of human histone deacetylase (HDAC).

PTACH (NCH-51) Chemical Structure CAS No.: 848354-66-5
Product category: HDAC

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Biological Data

Product Description

PTACH (also known as NCH-51), a SAHA analog, is a novel and potent inhibitor of human histone deacetylase (HDAC). PTACH exhibits strong growth inhibition against a range of human cancer cell types, with EC50 values between 1 and 10 μM. Histone deacetylase (HDAC) inhibitor NCH-51, PTACH. More successfully than SAHA, NCH-51 could induce apoptosis in a range of lymphoid malignant cell types. NCH-51 increased the protein level of antioxidant molecules such as glutathione S-transferase and peroxiredoxins 1 and 2. By maintaining ROS at a level higher than SAHA, NCH-51 demonstrates cytotoxicity.

Biological Activity I Assay Protocols (From Reference)

Targets	HDAC1 ( IC50 = 48 nM ); HDAC4 ( IC50 = 32 nM ); HDAC6 ( IC50 = 41 nM ); HIV-1
ln Vitro	PTACH (compound 51) treatment increases p21^WAF1/CIP1 and acetylated histone H4 levels in a dose-dependent manner[1]. PTACH (compound 51) exhibits robust activity in the assay for inhibiting the growth of cancer cells. At EC50 values of 2.3 μM, 9.1 μM, 3.0 μM, 2.6 μM, 1.1 μM, 4.5 μM, 2.4 μM, 5.0 μM, and 4.5 μM for MDA-MB-231, SNB-78, HCT116, NCI-H226, LOX-IMVI, SK-OV-3, RXF-631L, St-4, and DU-145 cells, respectively, PTACH inhibits a variety of cancer cells[1]. PTACH (NCH-51) increases the production of HIV-1 in latently infected OM10.1 cells. This reactivation is linked to a loss of HDAC1 occupancy and subsequent hyperacetylation of histones in nuc-1 at the HIV-1 promoter[2].
Cell Assay	Cell Line: HCT 116 cells Concentration: 1 μM, 5 μM, 25 μM Incubation Time: 8 hours Result: Gave rise to elevated and dose-dependent levels of acetylated histone H4 and p21^WAF1/CIP1.
References	[1]. Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates. J Med Chem. 2005 Feb 24;48(4):1019-1032. [2]. Novel histone deacetylase inhibitor NCH-51 activates latent HIV-1 gene expression. FEBS Lett. 2011 Apr 6;585(7):1103-11.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C20H26N2O2S2
Molecular Weight	390.56264257431
Exact Mass	390.14
Elemental Analysis	C, 61.51; H, 6.71; N, 7.17; O, 8.19; S, 16.42
CAS #	848354-66-5
Appearance	Solid powder
SMILES	CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChi Key	MDYDGUOQFUQOGE-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)
Chemical Name	S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
Synonyms	NCH-51; NCH 51; NCH51. PTACH
HS Tariff Code	2934.99.9001
Storage	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)	DMSO: ~50 mg/mL (~128.0 mM）

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5604 mL	12.8021 mL	25.6043 mL
	5 mM	0.5121 mL	2.5604 mL	5.1209 mL
	10 mM	0.2560 mL	1.2802 mL	2.5604 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

Concentration

Volume

Molecular Weight*

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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Concentration (End)

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

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Desired Reconstitution Concentration

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
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The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

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Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

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Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Biological Data

Effect of NCH-51 on HIV-1 latently/chronically infected cells. FEBS Lett . 2011 Apr 6;585(7):1103-11.
NCH-51 increases acetylation of nuc-1 and decreases occupancy of HDAC1 at the HIV-1 LTR. FEBS Lett . 2011 Apr 6;585(7):1103-11.
NCH-51 activates transiently transfected HIV-1 LTR. FEBS Lett . 2011 Apr 6;585(7):1103-11.