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MedKoo Cat#: 130424 | Name: PBRM1-BD2 inhibitor 12

Description:

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

PBRM1-BD2 inhibitor 12, also known as PBRM1-BD2-IN-3, is a PBRM1-BD2 inhibitor.

Chemical Structure

PBRM1-BD2 inhibitor 12
PBRM1-BD2 inhibitor 12
CAS#2819989-58-5

Theoretical Analysis

MedKoo Cat#: 130424

Name: PBRM1-BD2 inhibitor 12

CAS#: 2819989-58-5

Chemical Formula: C14H11ClN2O

Exact Mass: 258.0560

Molecular Weight: 258.71

Elemental Analysis: C, 65.00; H, 4.29; Cl, 13.70; N, 10.83; O, 6.18

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
PBRM1-BD2 inhibitor 12; PBRM1-BD2-IN-3
IUPAC/Chemical Name
5-chloro-2-phenyl-2,3-dihydroquinazolin-4(1H)-one
InChi Key
ODBQDJLEOQRRNZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H11ClN2O/c15-10-7-4-8-11-12(10)14(18)17-13(16-11)9-5-2-1-3-6-9/h1-8,13,16H,(H,17,18)
SMILES Code
O=C1NC(C2=CC=CC=C2)NC3=C1C(Cl)=CC=C3
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 258.71 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. Shishodia S, Nuñez R, Strohmier BP, Bursch KL, Goetz CJ, Olp MD, Jensen DR, Fenske TG, Ordonez-Rubiano SC, Blau ME, Roach MK, Peterson FC, Volkman BF, Dykhuizen EC, Smith BC. Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening. J Med Chem. 2022 Oct 27;65(20):13714-13735. doi: 10.1021/acs.jmedchem.2c00864. Epub 2022 Oct 13. PMID: 36227159; PMCID: PMC9630929.