2. Cell Cycle/DNA Damage PI3K/Akt/mTOR
  3. ATM/ATR DNA-PK
  4. XRD-0394

XRD-0394 is a potent and orally active dual ATM and DNA-PKcs inhibitor with IC50s of 0.39 nM and 0.89 nM, respectively. XRD-0394 shows selectivity over other PIKK and PI3K family members. XRD-0394 significantly enhances tumor cell killing in vitro and in vivo under therapeutic ionizing radiation conditions. XRD-0394 can potentiate the effects of PARP and topoisomerase I inhibitors in vitro.

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XRD-0394 Chemical Structure

XRD-0394 Chemical Structure

CAS No. : 2595308-10-2

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Based on 1 publication(s) in Google Scholar

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Description

XRD-0394 is a potent and orally active dual ATM and DNA-PKcs inhibitor with IC50s of 0.39 nM and 0.89 nM, respectively. XRD-0394 shows selectivity over other PIKK and PI3K family members. XRD-0394 significantly enhances tumor cell killing in vitro and in vivo under therapeutic ionizing radiation conditions. XRD-0394 can potentiate the effects of PARP and topoisomerase I inhibitors in vitro[1].

In Vitro

XRD-0394 (20 nM, 100 nM, 500 nM, 1000 nM; pretreated with 30 minutes and then irradiated with 0-10 Gy for 1 hour) inhibits phosphorylation by ATM and DNA-PK kinases, but not structurally related kinases in MCF7 human tumor cells[1].

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

XRD-0394 Related Antibodies

Western Blot Analysis[1]

Cell Line: MCF7 human breast cancer cells
Concentration: 20 nM, 100 nM, 500 nM, 1000 nM
Incubation Time: Pretreated with 30 minutes and then irradiated with 0 or 10 Gy (IR) for 1 hour
Result: Showed potent, dose-dependent inhibition of IR-induced phosphorylation of DNA-PKcs (S2056) and ATM (S1981) and the ATM substrate KAP1 (Ser824), with no change in total ATM and DNA-PKcs protein levels.
In Vivo

XRD-0394 (3-10 mg/kg) via oral gavage 45 minutes prior to focal radiotherapy of 0 or 10 Gy and tumors are harvested for target inhibition assessment 1 hour after irradiation, XRD-0394 inhibits the activities of both DNA-PK and ATM kinases in tumors in vivo[1].
Pharmacokinetic analyses show that 10 mg/kg XRD-0394 (oral gavage) resulted in plasma concentration of 840-1,125 ng/mL (1.6-2.1 mM) for 4 hours before declining to undetectable levels by 24 hours in mice[1].

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

Animal Model: Female NCr nu/nu mice [Crl:NU(NCr)-Foxn1nu, Strain 490] were used for MDA-MB-321 subcutaneous tumor implantation, alone or in combination with focal irradiation[1].
Dosage: 3 mg/kg, 6 mg/kg, 10 mg/kg (0.5% HPMC and 0.2% Tween80)
Administration: Oral gavage; once daily; for 3 consecutive days
Result: Inhibited phosphorylation of the ATM substrate, KAP1, and autophosphorylation of DNA-PK.
Molecular Weight

527.61

Formula

C26H30FN5O4S
CAS No.
Appearance

Solid

Color

Light yellow to brown

SMILES

O=C(C12CCC2)N(C)C3=C1C4=CC(C5=CN=C(OCCNC(C)C)C(NS(C)(=O)=O)=C5)=C(F)C=C4N=C3
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 5 mg/mL (9.48 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.8953 mL 9.4767 mL 18.9534 mL
5 mM 0.3791 mL 1.8953 mL 3.7907 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, 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.

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Purity & Documentation

Purity: 98.54%

SDS (251 KB)

COA (249 KB) HNMR (267 KB) LCMS (96 KB)

Handling Instructions (2659 KB)
References

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, 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 1.8953 mL 9.4767 mL 18.9534 mL 47.3835 mL
5 mM 0.3791 mL 1.8953 mL 3.7907 mL 9.4767 mL
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XRD-0394 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:

XRD-03942595308-10-2XRD0394XRD 0394ATM/ATRDNA-PKAtaxia telangiectasia mutatedATM and RAD3 relatedDNA-dependent protein kinaseKAP1DNA-PK phosphorylationoral gavageenhances tumor cell killingInhibitorinhibitorinhibit

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