Acelarin (Synonyms: NUC-1031)

Name: Acelarin
Brand: MedChemExpress
SKU: HY-100885
Rating: 4.5 (1 reviews)

Cat. No.: HY-100885 Purity: 99.80%: FAQs
Data Sheet SDS COA Handling Instructions

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Acelarin (NUC-1031) is a ProTide transformation and enhancement of the widely-used nucleoside analogue, gemcitabine.

For research use only. We do not sell to patients.

Acelarin Chemical Structure

CAS No. : 840506-29-8

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 121	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 121	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 110	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 180	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 350	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 630	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1050	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

1 Publications Citing Use of MCE Acelarin

•Cancer Chemother Pharmacol. 2020 Jun;85(6):1063-1078. [Abstract]

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Protocol
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Description

Acelarin (NUC-1031) is a ProTide transformation and enhancement of the widely-used nucleoside analogue, gemcitabine.

IC₅₀ & Target

EC50：0.2 nM (DNA synthesis inhibitor)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
BXPC-3	IC₅₀	0.15 μM Compound: 6f, NUC-1031	Cytostatic activity against human BxPC3 cells after 72 hrs by MTS assay Cytostatic activity against human BxPC3 cells after 72 hrs by MTS assay	[PMID: 24471998]
BXPC-3	IC₅₀	230.1 nM Compound: NUC-1031	Antiproliferative activity against human BXPC-3 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human BXPC-3 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
CCRF-CEM	IC₅₀	0.1 μM Compound: 6f, NUC-1031	Cytostatic activity against human CEM cells after 72 hrs by coulter counter analysis Cytostatic activity against human CEM cells after 72 hrs by coulter counter analysis	[PMID: 24471998]
CWR22R	IC₅₀	130.1 nM Compound: NUC-1031	Antiproliferative activity against human 22Rv1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human 22Rv1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
HEL	CC₅₀	0.34 μM Compound: 2c	Cytotoxicity against human HEL cells assessed as reduce in cell growth incubated for 3 days by coulter counter analysis Cytotoxicity against human HEL cells assessed as reduce in cell growth incubated for 3 days by coulter counter analysis	[PMID: 33479570]
Huh-7	IC₅₀	350.3 nM Compound: NUC-1031	Antiproliferative activity against human Huh-7 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human Huh-7 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
JeKo-1	IC₅₀	160.1 nM Compound: NUC-1031	Antiproliferative activity against human JeKo-1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human JeKo-1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
L1210	IC₅₀	0.035 μM Compound: 6f, NUC-1031	Cytostatic activity against mouse L1210 cells after 48 hrs by coulter counter analysis Cytostatic activity against mouse L1210 cells after 48 hrs by coulter counter analysis	[PMID: 24471998]
MIA PaCa-2	IC₅₀	0.44 μM Compound: 6f, NUC-1031	Cytostatic activity against human MIAPaCa2 cells after 72 hrs by MTS assay Cytostatic activity against human MIAPaCa2 cells after 72 hrs by MTS assay	[PMID: 24471998]
MIA PaCa-2	IC₅₀	142.2 nM Compound: NUC-1031	Antiproliferative activity against human MIA PaCa-2 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MIA PaCa-2 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
MM1.S	IC₅₀	31.1 nM Compound: NUC-1031	Antiproliferative activity against human MM1.S cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MM1.S cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
MV4-11	IC₅₀	61 nM Compound: NUC-1031	Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
PANC-1	EC₅₀	162 μM Compound: 6f, NUC-1031	Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in presence of hENT1 inhibitor dipyridamole Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in presence of hENT1 inhibitor dipyridamole	[PMID: 24471998]
PANC-1	EC₅₀	190 μM Compound: 6f, NUC-1031	Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in absence of hENT1 inhibitor dipyridamole Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in absence of hENT1 inhibitor dipyridamole	[PMID: 24471998]
RT-112	EC₅₀	0.2 nM Compound: 6f, NUC-1031	Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in absence of dCK substrate deoxycytidine Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in absence of dCK substrate deoxycytidine	[PMID: 24471998]
RT-112	EC₅₀	0.7 nM Compound: 6f, NUC-1031	Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in presence of dCK substrate deoxycytidine Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in presence of dCK substrate deoxycytidine	[PMID: 24471998]
Vero	CC₅₀	0.02 μM Compound: 2c	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell growth by coulter counter analysis Cytotoxicity against African green monkey Vero cells assessed as reduction in cell growth by coulter counter analysis	[PMID: 33479570]

In Vitro

Gemcitabine is a nucleoside analogue commonly used in cancer therapy but with limited efficacy due to a high susceptibility to cancer cell resistance. The addition of a phosphoramidate motif to the gemcitabine can protect it against many of the key cancer resistance mechanisms. A series of gemcitabine phosphoramidate prodrugs are synthesized and screened for cytostatic activity in a range of different tumor cell lines. Among the synthesized compounds, NUC-1031 is shown to be potent in vitro.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The ProTide demonstrates a significant reduction in tumor size against pancreatic xenograft models compared with the gemcitabine treated group, and less adverse effects on body weight, indicating a better safety profile. Data strongly suggests that the ProTides are not reliant on kinases or nucleoside transporters to exert their activity inside tumor cells and remain stable in the presence of deaminases. The ProTide NUC-1031 is currently advancing through phase I/II clinical studies and has already generated strong pharmacokinetic data that confirm significantly higher intracellular levels of gemcitabine triphosphate, together with promising early efficacy signals and a favorable safety profile. The phosphoramidate chemistry is potentially a great source of new and very effective anticancer agents, bringing a considerable array of advanced treatments specifically designed to overcome cancer resistance mechanisms that will benefit a greater proportion of patients^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

Molecular Weight

580.47

Formula

C₂₅H₂₇F₂N₄O₈P

CAS No.

840506-29-8

Appearance

Solid

Color

White to off-white

SMILES

O=C1N=C(N)C=CN1[C@@H]2O[C@H](COP(OC3=CC=CC=C3)(N[C@H](C(OCC4=CC=CC=C4)=O)C)=O)[C@@H](O)C2(F)F

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : ≥ 36 mg/mL (62.02 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.7227 mL	8.6137 mL	17.2274 mL
5 mM	0.3445 mL	1.7227 mL	3.4455 mL
10 mM	0.1723 mL	0.8614 mL	1.7227 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.80%

Select Batch:

Data Sheet (282 KB) SDS (393 KB)

COA (259 KB) LCMS (266 KB)

Handling Instructions (2659 KB)

References

[1]. Slusarczyk M, et al. Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development. J Med Chem. 2014 Feb 27;57(4):1531-42. [Content Brief]

Cell Assay ^[1]	NUC-1031(5.0 mg) is dissolved in DMSO (0.050 mL) and D₂O (0.15 mL). After recording the control ³¹P NMR at 37 °C, a previously defrosted human, rat, or dog serum (0.30 mL) is added to the sample, which is next submitted to the ³¹P NMR experiments at 37°C. The spectra are recorded every 30 min over 13 h. ³¹P NMR recorded data are processed and analyzed with the Bruker Topspin 2.1 program^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Balb/c nude mice are female, six to eight week old, with the weight of 20 ± 2 g. They are intraperitoneally given NUC-1031 (i.p 0.228 mmol/kg, 132.3 mg/kg, 2×/WK) or vehicle for 2 weeks. NUC-1031 is dissolved in 40% Captisol solution. (40% Captisol is prepared by dissolving 20mg of Captisol with pure water, and made the final volume 50 mL. The solvent is filtered with 0.22 μm filter). Mice are monitored daily for body weight change and clinical symptoms for 2 weeks^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Slusarczyk M, et al. Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development. J Med Chem. 2014 Feb 27;57(4):1531-42. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.7227 mL	8.6137 mL	17.2274 mL	43.0686 mL
	5 mM	0.3445 mL	1.7227 mL	3.4455 mL	8.6137 mL
	10 mM	0.1723 mL	0.8614 mL	1.7227 mL	4.3069 mL
	15 mM	0.1148 mL	0.5742 mL	1.1485 mL	2.8712 mL
	20 mM	0.0861 mL	0.4307 mL	0.8614 mL	2.1534 mL
	25 mM	0.0689 mL	0.3445 mL	0.6891 mL	1.7227 mL
	30 mM	0.0574 mL	0.2871 mL	0.5742 mL	1.4356 mL
	40 mM	0.0431 mL	0.2153 mL	0.4307 mL	1.0767 mL
	50 mM	0.0345 mL	0.1723 mL	0.3445 mL	0.8614 mL
	60 mM	0.0287 mL	0.1436 mL	0.2871 mL	0.7178 mL

Acelarin Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Acelarin840506-29-8NUC-1031NUC1031NUC 1031DNA/RNA SynthesisInhibitorinhibitorinhibit

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Acelarin (Synonyms: NUC-1031)

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Acelarin Related Antibodies

1 Publications Citing Use of MCE Acelarin

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Complete Stock Solution Preparation Table

Acelarin Related Classifications

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