MedKoo Cat#: 466184 | Name: BP44

Description:

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

BP44 is a BET/PARP1 Inhibitor That Induce Defective Homologous Recombination and Lead to Synthetic Lethality for Triple-Negative Breast Cancer Therapy. BP44 shows high selectivity for BRD4 and PARP1. BP44 inhibits the homologous recombination in triplenegative breast cancer (TNBC) and triggers synthetic lethality, thus leading to cell cycle arrest and DNA damage.

Chemical Structure

BP44
BP44
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 466184

Name: BP44

CAS#: unknown

Chemical Formula: C25H20N4O4

Exact Mass: 440.1485

Molecular Weight: 440.46

Elemental Analysis: C, 68.17; H, 4.58; N, 12.72; O, 14.53

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
BP44; BP-44; BP 44;
IUPAC/Chemical Name
5,7-dimethoxy-2-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)quinazolin-4(3H)-one
InChi Key
VNFNYBBLPFNLBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H20N4O4/c1-32-16-12-20-22(21(13-16)33-2)25(31)27-23(26-20)15-7-5-6-14(10-15)11-19-17-8-3-4-9-18(17)24(30)29-28-19/h3-10,12-13H,11H2,1-2H3,(H,29,30)(H,26,27,31)
SMILES Code
COC1=CC(OC)=C(C(NC(C2=CC(CC(C3=C4C=CC=C3)=NNC4=O)=CC=C2)=N5)=O)C5=C1
Appearance
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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 440.46 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
1: Zhang J, Yang C, Tang P, Chen J, Zhang D, Li Y, Yang G, Liu Y, Zhang Y, Wang Y, Liu J, Ouyang L. Discovery of 4-Hydroxyquinazoline Derivatives as Small Molecular BET/PARP1 Inhibitors That Induce Defective Homologous Recombination and Lead to Synthetic Lethality for Triple-Negative Breast Cancer Therapy. J Med Chem. 2022 Apr 20. doi: 10.1021/acs.jmedchem.2c00135. Epub ahead of print. PMID: 35442700.