| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
This product is discontinued due to commercial reason,Berzosertib (VE-822; VX-970; M6620) is a specific ATR inhibitor with IC50 of 19 nM in HT29 cells. Both in vitro and in vivo, VE-822 suppressed ATR. In irradiated cancer cells, VE-822 reduced homologous recombination, elevated persistent DNA damage, and impairs the maintenance of cell-cycle checkpoints. VE-822 lowered pancreatic cancer cell survival to XRT or gemcitabine, but not normal cell survival. Pancreatic cancer xenografts treated with XRT and gemcitabine-based chemoradiation showed a significant growth delay that was maintained by VE-822 without increasing normal cell or tissue toxicity. With regard to enhancing the therapeutic ratio of radiochemotherapy for patients with PDAC, these results validate ATR inhibition as a novel and hopeful strategy.
| Targets |
ATR ( IC50 = 19 nM ）
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| ln Vivo |
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| Enzyme Assay |
Berzosertib is an ATR inhibitor that has a Ki value of 0.2 nM or less. With a Ki of 34 nM, it also inhibits ATM.
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| Cell Assay |
NSC 613327 (10 nM) is added twenty-four hours prior to XRT, and before adding Berzosertib (VE-822), it is replaced with new medium. For one hour prior to and eighteen hours following XRT (6 Gy), PSN-1 cells are treated with 80 nM Berzosertib (VE-822). Using an Annexin V-FITC kit with P, flow cytometry is used to analyze apoptosis 48 hours after XRT.
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| Animal Protocol |
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| References | |||
| Additional Infomation |
3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine is a sulfonamide.
Berzosertib (VX-970) has been used in trials studying the treatment of Ovarian Neoplasms, Ovarian Serous Tumor, Adult Solid Neoplasm, Advanced Solid Tumor, and Advanced Solid Neoplasm, among others. Berzosertib is an inhibitor of ataxia telangiectasia and rad3-related (ATR) kinase, a DNA damage response kinase, with potential antineoplastic activity. Upon administration, berzosertib selectively binds to and inhibits ATR kinase activity and prevents ATR-mediated signaling in the ATR-checkpoint kinase 1 (Chk1) signaling pathway. This prevents DNA damage checkpoint activation, disrupts DNA damage repair, and induces tumor cell apoptosis. ATR, a serine/threonine protein kinase upregulated in a variety of cancer cell types, plays a key role in DNA repair, cell cycle progression, and survival; it is activated by DNA damage caused during DNA replication-associated stress. |
| Molecular Formula |
C24H25N5O3S
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| Molecular Weight |
463.55
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| Exact Mass |
463.167
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| Elemental Analysis |
C, 62.18; H, 5.44; N, 15.11; O, 10.35; S, 6.92
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| CAS # |
1232416-25-9
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| Related CAS # |
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| PubChem CID |
59472121
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| Appearance |
Yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
674.4±55.0 °C at 760 mmHg
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| Flash Point |
361.7±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.603
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| LogP |
3.36
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
714
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C([H])=C([H])C(C2=C([H])N=C(C(C3=C([H])C(C4C([H])=C([H])C(=C([H])C=4[H])C([H])([H])N([H])C([H])([H])[H])=NO3)=N2)N([H])[H])=C([H])C=1[H])(C([H])(C([H])([H])[H])C([H])([H])[H])(=O)=O
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| InChi Key |
JZCWLJDSIRUGIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
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| Chemical Name |
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
5% DMSO+ 40%PEG300+ 5%Tween 80+ 50% ddH2O: 1.0mg/ml (2.16mM) (Please use freshly prepared in vivo formulations for optimal results.)
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1573 mL | 10.7863 mL | 21.5726 mL | |
| 5 mM | 0.4315 mL | 2.1573 mL | 4.3145 mL | |
| 10 mM | 0.2157 mL | 1.0786 mL | 2.1573 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.
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.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04052555 | Active Recruiting |
Drug: Berzosertib Radiation: Radiation Therapy |
Bilateral Breast Carcinoma Localized Breast Carcinoma |
National Cancer Institute (NCI) |
September 24, 2020 | Phase 1 |
| NCT02567422 | Active Recruiting |
Drug: Berzosertib Drug: Cisplatin |
Stage III Hypopharyngeal Squamous Cell Carcinoma AJCC v7 Stage III Laryngeal Squamous Cell Carcinoma AJCC v6 and v7 |
National Cancer Institute (NCI) |
September 2, 2016 | Phase 1 |
| NCT04216316 | Active Recruiting |
Drug: Berzosertib Drug: Carboplatin |
Lung Non-Small Cell Squamous Carcinoma Stage IV Lung Cancer AJCC v8 |
National Cancer Institute (NCI) |
April 14, 2021 | Phase 1 Phase 2 |
| NCT02567409 | Active Recruiting |
Drug: Berzosertib Drug: Cisplatin |
Metastatic Ureter Urothelial Carcinoma Metastatic Bladder Urothelial Carcinoma |
National Cancer Institute (NCI) |
August 19, 2016 | Phase 2 |
| NCT02589522 | Active Recruiting |
Drug: Berzosertib Other: Quality-of-Life Assessment |
Stage IV Lung Cancer AJCC v8 Stage IVA Lung Cancer AJCC v8 |
National Cancer Institute (NCI) |
May 22, 2017 | Phase 1 |
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