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SML2825

I-BET469

≥98% (HPLC)

Synonym(s):

5-(1-(1,3-Dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, 5-[1-[2-Methoxy-1-(methoxymethyl)ethyl]-5-(4-morpholinyl)-1H-benzimidazol-2-yl]-1,3-dimethyl-2(1H)-pyridinone

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Size/SKUAvailabilityPrice
5 mg
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$135.00
25 mg
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$420.00

About This Item

Empirical Formula (Hill Notation):
C23H30N4O4
CAS Number:
Molecular Weight:
426.51
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder

$135.00


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Quality Segment

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

N4(CCOCC4)c1cc2nc([n](c2cc1)C(COC)COC)C3=CN(C(=O)C(=C3)C)C

InChI

1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3

InChI key

DDSHVVXWYKDTTQ-UHFFFAOYSA-N

Biochem/physiol Actions

I-BET469 is an orally active bromodomain (BrD) inhibitor with selectivity toward a subset of bromodomain-containng proteins (BCPs) and BrDs (Kd in nM: BRD4 BrD1/2 = 1.5/2.9, BRD3 BrD1/2 = 2/2.3, BRD2 BrD1/2 = 2.3/2.8, BRDT BrD1/2 = 12/100, CREBBP = 37, EP300 = 49; Kd ≥4.8 μM toward 22 other BCPs). I-BET469 targets cellular BRD4 with high affinity (pKd = 8.3 or Kd = 5.0 nM by NanoBRET) and shows in vivo efficacy in a murine acute endotoxic shock model (1, 3, 10 mg/kg po. 30 min prior to LPS) and a chronic T cell-dependent immunization model (IgG suppression on day 14 = 24% and 65%, respectively, with 0.3 mg/kg or 3 mg/kg daily po.).
Orally active bromodomain (BrD) inhibitor with in vivo efficacy and selectivity for BRD2/3/4, BRDT, CREBBP, EP300 over 22 other BCPs.

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This Item
SML1276SML1184SML0501
description

≥98% (HPLC)

description

≥98% (HPLC)

description

≥98% (HPLC)

description

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

form

powder

form

powder

form

powder

form

powder

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: 10 mg/mL, clear

solubility

DMSO: 5 mg/mL, clear (warmed)

solubility

DMSO: 2 mg/mL (clear solution, warmed)

color

white to beige

color

white to beige

color

white to beige

color

white to beige


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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