MedKoo Cat#: 128164 | Name: BC13

Description:

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

BC13 is a dural CDK6/BRD4 Inhibitor. BC13 exhibited potent inhibitory activity against CDK6 and BRD4. It also displayed potent antiproliferative activity against TNBC cells. In vivo experiments showed that BC13 has potent antitumor activity in the MDA-MB-231 xenograft mouse model, without observable side effects. BC13 demonstrates profound synergistic antitumor effects with ferroptosis inducer in TNBC cells.

Chemical Structure

BC13
BC13
CAS#3036645-03-8

Theoretical Analysis

MedKoo Cat#: 128164

Name: BC13

CAS#: 3036645-03-8

Chemical Formula: C37H39N7O5

Exact Mass: 661.3013

Molecular Weight: 661.76

Elemental Analysis: C, 67.16; H, 5.94; N, 14.82; O, 12.09

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
BC13; BC-13; BC 13
IUPAC/Chemical Name
8-cyclopentyl-2-(2-(4-(5,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)benzoyl)-2,7-diazaspiro[3.5]nonan-7-yl)-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
InChi Key
GCDVHXYXNPHYTC-UHFFFAOYSA-N
InChi Code
InChI=1S/C37H39N7O5/c1-22-16-30(45)44(25-6-4-5-7-25)33-27(22)19-38-36(41-33)42-14-12-37(13-15-42)20-43(21-37)35(47)24-10-8-23(9-11-24)32-39-28-17-26(48-2)18-29(49-3)31(28)34(46)40-32/h8-11,16-19,25H,4-7,12-15,20-21H2,1-3H3,(H,39,40,46)
SMILES Code
COC1=C(C(NC(C2=CC=C(C(N3CC4(CCN(C5=NC(N(C6CCCC6)C(C=C7C)=O)=C7C=N5)CC4)C3)=O)C=C2)=N8)=O)C8=CC(OC)=C1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 661.76 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
Zhang Y, Zheng L, Ma L, Yin F, Luo Z, Li S, Jiang Y, Kong L, Wang X. Discovery of Dual CDK6/BRD4 Inhibitor Inducing Apoptosis and Increasing the Sensitivity of Ferroptosis in Triple-Negative Breast Cancer. J Med Chem. 2024 Nov 22. doi: 10.1021/acs.jmedchem.4c01976. Epub ahead of print. PMID: 39575863.