MedKoo Cat#: 127338 | Name: XRD-0394

Description:

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

XRD-0394 is a DNA-PKcs inhibitor. XRD-0394 selectively targets, binds to and inhibits the activity of ATM and DNA-PK. This inhibits ATM-mediated signaling, which may prevent DNA damage checkpoint activation, disrupt DNA damage repair and induce tumor cell apoptosis. XRD-0394 demonstrates significantly enhanced tumor cell kill in the setting of therapeutic ionizing irradiation in vitro and in vivo. XRD-0394 also potentiates the effectiveness of topoisomerase I inhibitors in vitro. In addition, in cells lacking BRCA1/2 XRD-0394 shows single-agent activity and synergy in combination with PARP inhibitors

Chemical Structure

XRD-0394
XRD-0394
CAS#2595308-10-2

Theoretical Analysis

MedKoo Cat#: 127338

Name: XRD-0394

CAS#: 2595308-10-2

Chemical Formula: C26H30FN5O4S

Exact Mass: 527.2003

Molecular Weight: 527.62

Elemental Analysis: C, 59.19; H, 5.73; F, 3.60; N, 13.27; O, 12.13; S, 6.08

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
XRD-0394; XRD0394; XRD 0394
IUPAC/Chemical Name
N-(5-(7'-fluoro-3'-methyl-2'-oxo-2',3'-dihydrospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinolin]-8'-yl)-2-(2-(isopropylamino)ethoxy)pyridin-3-yl)methanesulfonamide
InChi Key
DFPIFDHNNWOIDD-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H30FN5O4S/c1-15(2)28-8-9-36-24-21(31-37(4,34)35)10-16(13-30-24)17-11-18-20(12-19(17)27)29-14-22-23(18)26(6-5-7-26)25(33)32(22)3/h10-15,28,31H,5-9H2,1-4H3
SMILES Code
CC(NCCOC1=NC=C(C2=C(F)C=C(N=CC(N3C)=C4C5(CCC5)C3=O)C4=C2)C=C1NS(C)(=O)=O)C
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
In addition, by inhibiting the activity of DNA-PK, this agent interferes with the non-homologous end joining (NHEJ) process which may prevent the repair of DNA double strand breaks (DSBs) caused by ionizing radiation. This may also increase radiotherapy cytotoxicity leading to enhanced tumor cell death. ATM, a serine/threonine protein kinase upregulated in a variety of cancer cell types, is activated in response to DNA damage and plays a key role in DNA-strand repair. DNA-PK plays a key role in the NHEJ pathway and DSB repair. The enhanced ability of tumor cells to repair DNA damage plays a major role in the resistance of tumor cells to radiotherapy.

Preparing Stock Solutions

The following data is based on the product molecular weight 527.62 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
Gilmer TM, Lai CH, Guo K, Deland K, Ashcraft KA, Stewart AE, Wang Y, Fu J, Wood KC, Kirsch DG, Kastan MB. A Novel Dual ATM/DNA-PK Inhibitor, XRD-0394, Potently Radiosensitizes and Potentiates PARP and Topoisomerase I Inhibitors. Mol Cancer Ther. 2024 Jun 4;23(6):751-765. doi: 10.1158/1535-7163.MCT-23-0890. PMID: 38588408.