I-BET282E mesylate | CAS#2885162-99-0 | BET Protein Inhibitor

MedKoo Cat#: 465782 | Name: I-BET282E

Description:

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

I-BET282E is a novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor.

Chemical Structure

I-BET282E

CAS#2885162-99-0 (mesylate)

Theoretical Analysis

MedKoo Cat#: 465782

Name: I-BET282E

CAS#: 2885162-99-0 (mesylate)

Chemical Formula: C26H34N4O7S

Exact Mass: 546.2148

Molecular Weight: 546.64

Elemental Analysis: C, 57.13; H, 6.27; N, 10.25; O, 20.49; S, 5.86

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.

Bulk Inquiry

Related CAS #

1422554-34-4 (free base) 2885162-99-0 (mesylate)

Synonym

I-BET282E; IBET282E; I BET282E; I-BET-282E; IBET282E; I BET 282E; IBET-282E; I BET-282E; I-BET282E; I-BET 282E; I-BET282 Mesylate; I BET282 Mesylate; IBET282 Mesylate;

IUPAC/Chemical Name

(R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole methanesulfonate

InChi Key

RNDJPURPXAOCHW-PFEQFJNWSA-N

InChi Code

InChI=1S/C25H30N4O4.CH4O3S/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17;1-5(2,3)4/h10-12,14,17H,6-9,13H2,1-5H3;1H3,(H,2,3,4)/t14-;/m1./s1

SMILES Code

CC1=C(C2=C(OC)C=C3C4=C(N=C(C5CCOCC5)N4[C@H](C)COC)C=NC3=C2)C(C)=NO1.OS(=O)(C)=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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 546.64 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.

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: Jones KL, Beaumont DM, Bernard SG, Bit RA, Campbell SP, Chung CW, Cutler L, Demont EH, Dennis K, Gordon L, Gray JR, Haase MV, Lewis AJ, McCleary S, Mitchell DJ, Moore SM, Parr N, Robb OJ, Smithers N, Soden PE, Suckling CJ, Taylor S, Walker AL, Watson RJ, Prinjha RK. Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem. 2021 Aug 26;64(16):12200-12227. doi: 10.1021/acs.jmedchem.1c00855. Epub 2021 Aug 13. PMID: 34387088.