I-BET282E

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Hodoodo CAT#: H465782

CAS#: 2885162-99-0 (mesylate)

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


Chemical Structure

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I-BET282E
CAS# 2885162-99-0 (mesylate)

Theoretical Analysis

Hodoodo Cat#: H465782
Name: I-BET282E
CAS#: 2885162-99-0 (mesylate)
Chemical Formula: C26H34N4O7S
Exact Mass: 546.21
Molecular Weight: 546.639
Elemental Analysis: C, 57.13; H, 6.27; N, 10.25; O, 20.49; S, 5.86

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.