Tacedinaline (GOE-5549, PD-123654, CI-994; Acetyldinaline)

Alias: PD-123654; GOE-5549; Acetyldinaline; Tacedinaline; CI994; CI-994; CI 994; PD123654; PD-123654; PD 123654; N-acetyldinaline; Goe5549; Goe 5549
Cat No.:V0292 Purity: ≥98%
Tacedinaline (GOE5549, PD123654, CI994; Acetyldinaline) is a potent, orally bioavailable and selective inhibitor of histone deacetylase 1/3 (HDAC1/3) with potential anticancer activity.
Tacedinaline (GOE-5549, PD-123654, CI-994; Acetyldinaline) Chemical Structure CAS No.: 112522-64-2
Product category: HDAC
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

Tacedinaline (GOE5549, PD123654, CI994; Acetyldinaline) is a potent, orally bioavailable and selective inhibitor of histone deacetylase 1/3 (HDAC1/3) with potential anticancer activity. It has IC50s of 0.9, 0.9, and 1.2 μM for HDAC1/2/3 inhibition, respectively.

Biological Activity I Assay Protocols (From Reference)
Targets
HD1 ( IC50 = 0.9 μM ); HD2 ( IC50 = 0.9 μM ); HD3 ( IC50 = 1.2 μM )
ln Vitro

In vitro activity: CI-994 (< 160 mM) exhibits cytostatic action in A-549 and LX-1 cells, along with an increase at the G0/G1 phase, a decrease at the S phase, and an increase in apoptosis.[2] With an IC50 of 7.4 μM, CI-994 inhibits LNCaP cell growth. CI-994 exhibits activity against multiple tumor cell lines, exhibiting higher cytotoxicity against solid tumors in comparison to leukemia and normal fibroblast cell lines.[4] With an IC50 of 2.5 μM, CI-994 suppresses the growth of rat leukemia BCLO cells.[5]

ln Vivo
CI-994 has exhibited antitumor activity against multiple tumor models, such as the human prostate tumor model LNCaP and the chemoresistant mouse pancreatic ductal carcinoma.[4]
Enzyme Assay
Tacedinaline, also known as N-acetyldinaline, has IC50 values of 0.9, 0.9, and 1.2 μM for recombinant HDAC 1, 2, and 3, respectively, making it an inhibitor of histone deacetylase (HDAC).
Cell Assay
The whole culture medium of RPMI 1640 medium, which includes 10% fetal bovine serum, 1% penicillin, and 1% streptomycin, is used to maintain LNCaP cell lines. 24-well plates are seeded with 2×104 cells, which are then incubated for one day at 37 °C in an incubator with 5% CO2. On days two and four, cultures are treated with CI-994 both alone and in combination. On days two and four, media are replaced and cells are cleaned. As a gauge of cell proliferation, mitochondrial metabolism is assessed by introducing 100 μL/well MTT (5 mg/mL in medium) and incubating it for two hours at 37 °C on Day 6. Dissolved crystals are placed in 500 μL of DMSO. At 560 nm, the absorbance is measured with a microplate reader. The percentage of cell proliferation is calculated from the absorbance data. Three duplicates of each assay are run.
Animal Protocol
Rats: Male rats are given single oral doses of acedinaline (CI-994) at 0, 10, 23, and 45 mg/kg to characterize its effects on lymphoid tissue.The rats are then killed up to 7 days after the last dose to assess the lymphoid tissue weights, bone marrow differentials, white blood cell differentials, and specific histopathology of the lymphoid tissue.
References

[1]. J Med Chem . 2007 Nov 15;50(23):5543-6.

[2]. Oncol Res . 2005;15(1):39-48.

[3].Bioorg Med Chem . 2008 Mar 15;16(6):3352-60.

[4]. Invest New Drugs . 1996;14(4):349-56.

[5]. Oncol Rep . 2008 Jun;19(6):1517-23.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H15N3O2
Molecular Weight
269.3
Exact Mass
269.12
Elemental Analysis
C, 66.90; H, 5.61; N, 15.60; O, 11.88
CAS #
112522-64-2
Appearance
Off-white solid powder
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChi Key
VAZAPHZUAVEOMC-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
Chemical Name
4-acetamido-N-(2-aminophenyl)benzamide
Synonyms
PD-123654; GOE-5549; Acetyldinaline; Tacedinaline; CI994; CI-994; CI 994; PD123654; PD-123654; PD 123654; N-acetyldinaline; Goe5549; Goe 5549
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: ~54 mg/mL (~200.5 mM)
Water: <1 mg/mL
Ethanol: <1 mg/mL
Solubility (In Vivo)
30% PEG400+0.5% Tween80+5% propylene glycol: 30mg/mL
 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.7133 mL 18.5667 mL 37.1333 mL
5 mM 0.7427 mL 3.7133 mL 7.4267 mL
10 mM 0.3713 mL 1.8567 mL 3.7133 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

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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?
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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?
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g/mol

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
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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.

(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.
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Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT00005624 Completed Drug: CI-994 Multiple Myeloma H. Lee Moffitt Cancer Center
and Research Institute
August 1997 Phase 2
NCT00005093 Completed Drug: gemcitabine hydrochloride
Drug: tacedinaline
Lung Cancer Pfizer December 1999 Phase 3
NCT00004861 Completed Drug: gemcitabine hydrochloride
Drug: tacedinaline
Pancreatic Cancer Pfizer October 1999 Phase 2
Biological Data
  • CI994 (Tacedinaline)

  • CI994 (Tacedinaline)
    The effect of various HDACIs in combination with retinoids or RAMBAs on LNCaP cell viability as assessed by the MTT assay.Bioorg Med Chem.2008 Mar 15;16(6):3352-60.
  • CI994 (Tacedinaline)
    Western blot analysis for various proteins in LNCaP whole cell lysates after a 24 hour treatment with VN/66-1 (1.0 µM), SAHA (10 nM) or their combination.Bioorg Med Chem.2008 Mar 15;16(6):3352-60.
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