CID-2858522
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CID-2858522
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CAS No:
758679-97-9
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Formula:
C28H39N3O3
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Chemical Name:
CID-2858522
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Synonyms:
CID-2858522;1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-(3-hydroxypropylaMino)-5,6-diMethyl-1H-benzo[d]iMidazol-1-yl)ethanone;1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]-ethanone;1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-(3-hydroxypropylamino)-5,6-dimethyl-1H-benzo[d]imid
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CAS No:
Description
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethyl-1-benzimidazolyl]ethanone is an aromatic ketone.
Characteristics
87.4
7.2
white to beige
1.12±0.1 g/cm3(Predicted)
DMSO: soluble 2mg/mL, clear (warmed)
2-8°C
Safety Information
UN 2811 6.1 / PGIII
3
25
45
T
P264, P270, P273, P301+P310, P321, P330, P405, P501
H301
Drug Information
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-((3-hydroxypropyl)amino)-5,6-dimethyl-1H-benzo(d)imidazol-1-yl)ethanone
CID-2858522 Use and Manufacturing
1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-[2-[(3-hydroxypropyl)amino]-5,6-dimethyl-1H-benzimidazol-1-yl]- ethanone is a selective benzimidazole inhibitor of the antigen receptor-mediated NF-Wei B activation pathway.
Computed Properties
Molecular Weight:465.6
XLogP3:7.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:465.29914211
Monoisotopic Mass:465.29914211
Topological Polar Surface Area:87.4
Heavy Atom Count:34
Complexity:661
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes