MedKoo Cat#: 208006 | Name: PARP/BRD4 inhibitor III-16

Description:

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

PARP/BRD4 inhibitor III-16 is a potent and a novel dual PARP/BRD4 inhibitor for efficient treatment of pancreatic cancer.

Chemical Structure

PARP/BRD4 inhibitor III-16
PARP/BRD4 inhibitor III-16
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 208006

Name: PARP/BRD4 inhibitor III-16

CAS#: N/A

Chemical Formula: C30H34N8O3

Exact Mass: 554.2754

Molecular Weight: 554.66

Elemental Analysis: C, 64.96; H, 6.18; N, 20.20; O, 8.65

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
PARP/BRD4 inhibitor III-16; PARP/BRD4 inhibitor III16; PARP/BRD4 inhibitor III 16
IUPAC/Chemical Name
(R)-2-(4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)(methyl)amino)-3-methoxyphenyl)-1H-benzo[d]imidazole-4-carboxamide
InChi Key
HDFQNQPMGAHQTL-OAQYLSRUSA-N
InChi Code
InChI=1S/C30H34N8O3/c1-5-21-29(40)36(2)23-16-32-30(35-28(23)38(21)18-9-6-7-10-18)37(3)22-14-13-17(15-24(22)41-4)27-33-20-12-8-11-19(26(31)39)25(20)34-27/h8,11-16,18,21H,5-7,9-10H2,1-4H3,(H2,31,39)(H,33,34)/t21-/m1/s1
SMILES Code
NC(C1=CC=CC2=C1N=C(C3=CC=C(N(C4=NC(N(C5CCCC5)[C@H](CC)C(N6C)=O)=C6C=N4)C)C(OC)=C3)N2)=O
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 554.66 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 SP, Li Y, Huang SH, Wu SQ, Gao LL, Sun Q, Lin QW, Huang L, Meng LQ, Zou Y, Zhu QH, Xu YG. Discovery of Potent and Novel Dual PARP/BRD4 Inhibitors for Efficient Treatment of Pancreatic Cancer. J Med Chem. 2021 Dec 9;64(23):17413-17435. doi: 10.1021/acs.jmedchem.1c01535. Epub 2021 Nov 23. PMID: 34813314.