MedKoo Cat#: 462132 | Name: CAY10749
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Description:

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

CAY10749 is a dual inhibitor of poly(ADP-ribose) polymerase (PARP) and PI3K. It is selective for these enzymes over PI3Kβ and PI3Kγ as well as a panel of 374 additional kinases at 1 µM. CAY10749 (1 µM) induces dsDNA break formation in a neutral comet assay and apoptosis in MDA-MB-468 breast cancer cells. It inhibits proliferation of eight cancer cell lines, including pancreatic, ovarian, lymphoma, leukemia, and lung cancer cells.

Chemical Structure

CAY10749
CAY10749
CAS#2337386-47-5

Theoretical Analysis

MedKoo Cat#: 462132

Name: CAY10749

CAS#: 2337386-47-5

Chemical Formula: C33H28F4N8O3

Exact Mass: 660.2220

Molecular Weight: 660.63

Elemental Analysis: C, 60.00; H, 4.27; F, 11.50; N, 16.96; O, 7.27

Price and Availability

Size Price Availability Quantity
50mg USD 650.00 2 Weeks
100mg USD 1,050.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 2,950.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
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Synonym
CAY10749; CAY 10749; CAY-10749; PARP/PI3K-IN-1
IUPAC/Chemical Name
4-[[3-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5,8-dihydro-4-(4-morpholinyl)pyrido[3,4-d]pyrimidin-7(6H)-yl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinone
InChi Key
LIQDGVXNWJAUNO-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H28F4N8O3/c34-25-6-5-18(14-26-19-3-1-2-4-20(19)31(46)43-42-26)13-22(25)32(47)45-8-7-21-27(17-45)40-29(41-30(21)44-9-11-48-12-10-44)23-16-39-28(38)15-24(23)33(35,36)37/h1-6,13,15-16H,7-12,14,17H2,(H2,38,39)(H,43,46)
SMILES Code
O=C1C2=CC=CC=C2C(CC3=CC(C(N4CC5=NC(C6=CN=C(N)C=C6C(F)(F)F)=NC(N7CCOCC7)=C5CC4)=O)=C(F)C=C3)=NN1
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 660.63 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: Wang, J., Li, H., He, G., et al. Discovery of novel dual poly(ADP-ribose)polymerase (PARP) and phosphoinositide 3-kinase (PI3K) inhibitors as a promising strategy for cancer therapy. J. Med. Chem. 63(1), 122-139 (2019).