WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H465782
CAS#: 2885162-99-0 (mesylate)
Description: I-BET282E is a novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor.
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
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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: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.