MedKoo Cat#: 406258 | Name: Berzosertib
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Berzosertib, also known as VE-822 and VX-970, is an potent ATR inhibitor. VE-822 inhibited ATR in vitro and in vivo. VE-822 decreased maintenance of cell-cycle checkpoints, increased persistent DNA damage and decreased homologous recombination in irradiated cancer cells. VE-822 decreased survival of pancreatic cancer cells but not normal cells in response to XRT or gemcitabine. VE-822 markedly prolonged growth delay of pancreatic cancer xenografts after XRT and gemcitabine-based chemoradiation without augmenting normal cell or tissue toxicity. These findings support ATR inhibition as a promising new approach to improve the therapeutic ration of radiochemotherapy for patients with PDAC..

Chemical Structure

Berzosertib
Berzosertib
CAS#1232416-25-9

Theoretical Analysis

MedKoo Cat#: 406258

Name: Berzosertib

CAS#: 1232416-25-9

Chemical Formula: C24H25N5O3S

Exact Mass: 463.1678

Molecular Weight: 463.55

Elemental Analysis: C, 62.18; H, 5.44; N, 15.11; O, 10.35; S, 6.92

Price and Availability

Size Price Availability Quantity
25mg USD 150.00 Ready to Ship
50mg USD 250.00 Ready to Ship
100mg USD 450.00 Ready to Ship
200mg USD 750.00 Ready to Ship
500mg USD 1,650.00 Ready to Ship
1g USD 2,950.00 Ready to Ship
2g USD 5,250.00 Ready to Ship
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Related CAS #
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Synonym
M6620; M-6620; M 6620; VE822; VE-822; VE 822; VX970; VX-970; VX 970; Berzosertib
IUPAC/Chemical Name
5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.
InChi Key
JZCWLJDSIRUGIN-UHFFFAOYSA-N
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)
SMILES Code
NC1=NC=C(C2=CC=C(S(=O)(C(C)C)=O)C=C2)N=C1C3=CC(C4=CC=C(CNC)C=C4)=NO3
Appearance
Yellow solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
For in vivo study, VE-822 can be formulated in DMSO. For the in vivo studies, VE-822 was dissolved in 10% Vitamin E d-alpha tocopheryl polyethylene glycol 1000 succinate and administered by gavage, in 200μl.
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
        
Solvent mg/mL mM
Solubility
DMSO 40.0 86.29
Water 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 463.55 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
This product was removed from our catalog.