Cat. No.: HY-159480

AD1058

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AD1058 is an orally active, selective, and BBB-permeable inhibitor of ATR (IC₅₀: 1.6 nM). AD1058 exhibits anticancer activity by inhibiting tumor cell proliferation, inducing cell cycle arrest, and promoting apoptosis. AD1058 is suitable for research on advanced malignancies and brain metastases.

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

Purity: 98.04%
CAS No.: 2907782-78-7
Formula: C₁₉H₂₀N₆O₃S
Molecular Weight:412.47

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

AD1058 Chemical Structure

CAS No.: 2907782-78-7

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target

ATR

1.6 nM (IC₅₀)

mTOR

45.83 nM (IC₅₀)

ARK5

7314.00 nM (IC₅₀)

LCK

2594.00 nM (IC₅₀)

All Src Isoforms :

All ATM/ATR Isoforms :

All mTOR Isoforms :

All AMPK Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A2780	IC₅₀	0.34 μM Compound: 34; AD1058	Antiproliferative activity against human A2780 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human A2780 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
CAPAN-1	IC₅₀	4.43 μM Compound: 34; AD1058	Antiproliferative activity against human CAPAN-1 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human CAPAN-1 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
DLD-1	IC₅₀	2.65 μM Compound: 34; AD1058	Antiproliferative activity against human DLD-1 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human DLD-1 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
Granta-519	IC₅₀	0.19 μM Compound: 34; AD1058	Antiproliferative activity against human Granta-519 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human Granta-519 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
HCT-116	IC₅₀	0.66 μM Compound: 34; AD1058	Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
HT-29	IC₅₀	1.19 μM Compound: 34; AD1058	Antiproliferative activity against human HT-29 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human HT-29 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
LoVo	IC₅₀	0.59 μM Compound: 34; AD1058	Antiproliferative activity against human LoVo cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human LoVo cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
NCI-H446	IC₅₀	0.99 μM Compound: 34; AD1058	Antiproliferative activity against human NCI-H446 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human NCI-H446 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
OCI-Ly10	IC₅₀	0.43 μM Compound: 34; AD1058	Antiproliferative activity against human OCI-Ly10 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human OCI-Ly10 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
PC-3	IC₅₀	5.28 μM Compound: 34; AD1058	Antiproliferative activity against human PC-3 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human PC-3 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]
SUD4	IC₅₀	1.79 μM Compound: 34; AD1058	Antiproliferative activity against human SU-DHL-4 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay Antiproliferative activity against human SU-DHL-4 cells assessed as inhibition of cell growth incubated for 72 hrs by MTS assay	[PMID: 39053006]

In Vitro

AD1058 (72 h) inhibits the proliferation of multiple cell lines including B-cell lymphoma, ovarian cancer, colorectal cancer, lung cancer, pancreatic cancer and prostate cancer (IC₅₀: 0.19-5.28 μΜ)^[1].
AD1058 (500-2000 nM; 24-48 h) induces S-phase cell cycle arrest and apoptosis, and inhibits PARP inhibitor Niraparib (HY-10619)-induced CHK1 phosphorylation in Granta-519 cells^[1].

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

In Vivo

AD1058 (50 mg/kg; oral administration; 5 days per week; 3 weeks) exhibits antitumor activity in ovarian cancer and prostate cancer xenograft models^[1].
Pharmacokinetic Analysis in Mice^[1]

Route	Dose (mg/kg)	T_max (h)	C_max (ng/mL)	AUC_last (ng·h/mL)	AUC_INF (ng·h/mL)	T_1/2 (h)	Rsq_adjusted	regression Points
p.o.	50	1.00	19800	139888	140007	2.29	0.997	4-24

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

Animal Model:

BALB/c Nude mice treated A2780 or PC-3 cells^[1]
Dosage:

50 mg/kg
Administration:

Oral administration; 5 days per week; 3 weeks
Result:

Significantly suppressed tumor growth in both A2780 (ovarian cancer) and PC-3 (prostate cancer) xenograft models, demonstrating broad antitumor activity.

Chemical Information

CAS No. 2907782-78-7
Appearance Solid
Molecular Weight 412.47
Formula C₁₉H₂₀N₆O₃S
Color Off-white to light yellow
SMILES

O=S(N1C=CC2=C(N3[C@H](C)COCC3)N=C(C4=C5C(NC=C5)=NC=C4)N=C21)(C)=O
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (242.44 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.4244 mL

12.1221 mL

24.2442 mL

5 mM

0.4849 mL

2.4244 mL

4.8488 mL

10 mM

0.2424 mL

1.2122 mL

2.4244 mL

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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

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

Stock Solution Working Solution

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: ≥ 5 mg/mL (12.12 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 5 mg/mL (12.12 mM); Clear solution

This protocol yields a clear solution of ≥ 5 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 (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (283 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Liu Z, Jiang K, et al. Discovery of Preclinical Candidate AD1058 as a Highly Potent, Selective, and Brain-Penetrant ATR Inhibitor for the Treatment of Advanced Malignancies. J Med Chem. 2024 Aug 8;67(15):12735-12759. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.4244 mL	12.1221 mL	24.2442 mL	60.6105 mL
	5 mM	0.4849 mL	2.4244 mL	4.8488 mL	12.1221 mL
	10 mM	0.2424 mL	1.2122 mL	2.4244 mL	6.0610 mL
	15 mM	0.1616 mL	0.8081 mL	1.6163 mL	4.0407 mL
	20 mM	0.1212 mL	0.6061 mL	1.2122 mL	3.0305 mL
	25 mM	0.0970 mL	0.4849 mL	0.9698 mL	2.4244 mL
	30 mM	0.0808 mL	0.4041 mL	0.8081 mL	2.0203 mL
	40 mM	0.0606 mL	0.3031 mL	0.6061 mL	1.5153 mL
	50 mM	0.0485 mL	0.2424 mL	0.4849 mL	1.2122 mL
	60 mM	0.0404 mL	0.2020 mL	0.4041 mL	1.0102 mL
	80 mM	0.0303 mL	0.1515 mL	0.3031 mL	0.7576 mL
	100 mM	0.0242 mL	0.1212 mL	0.2424 mL	0.6061 mL

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AD1058

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Kinase Inhibitor Library

PI3K/Akt/mTOR Compound Library

Protein Tyrosine Kinase Compound Library

Stem Cell Signaling Compound Library

Anti-Cancer Compound Library

CNS-Penetrant Compound Library

Autophagy Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Differentiation Inducing Compound Library

Reprogramming Compound Library

Oxygen Sensing Compound Library

Glycolysis Compound Library

Cytoskeleton Compound Library

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Lung Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Anti-Obesity Compound Library

Angiogenesis-Related Compound Library

Lipid Metabolism Compound Library

Glucose Metabolism Compound Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Anti-Prostate Cancer Compound Library

Anti-Pulmonary Fibrosis Compound Library

Cancer Stem Cells Compound Library

Pain-Related Compound Library

Mitochondrial Protection Compound Library

Membrane Protein-targeted Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cell Death Library

Serine/Threonine Kinase Inhibitor Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Radioprotector Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Gastric Cancer Compound Library

Anti-Fibrosis Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Lactic Acid Metabolic Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

High-Efficiency Gene Editing Compound Library

Lactylation Compound Library

All Src Isoforms

All ATM/ATR Isoforms

All mTOR Isoforms

All AMPK Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

AD1058 Related Classifications

HY-159480 Related Classifications