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1137359-47-7

1137359-47-7 Structure

1137359-47-7 Structure
IdentificationBack Directory
[Name]

ethyl 4-(((2R,3R,4S,5R,6S)-4,5-bis(benzo[d][1,3]dioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxy-tetrahydro-2H-pyran-3-yloxy)carbonyl)benzoate
[CAS]

1137359-47-7
[Synonyms]

BRD7552
CS-1560
BRD7552 >=98% (HPLC)
BRD 7552;BRD-7552;BRD7552
Methyl [2,3-O-bis(Benzo[1,3]dioxol-5-yl-carbamoyl)]-4-O-(4-ethoxycarbonyl-phenylcarbamoyl)-α-D-glucopyranoside
α-D-Glucopyranoside, methyl, 2,3-bis(N-1,3-benzodioxol-5-ylcarbamate) 4-[N-[4-(ethoxycarbonyl)phenyl]carbamate]
ethyl 4-(((2R,3R,4S,5R,6S)-4,5-bis(benzo[d][1,3]dioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxy-tetrahydro-2H-pyran-3-yloxy)carbonyl)benzoate
[Molecular Formula]

C33H33N3O15
[MDL Number]

MFCD28133407
[MOL File]

1137359-47-7.mol
[Molecular Weight]

711.63
Chemical PropertiesBack Directory
[Boiling point ]

757.6±60.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:5): 0.2 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml
[form ]

A crystalline solid
[pka]

11.81±0.20(Predicted)
[color ]

White to off-white
[InChIKey]

WCJITTLHDWXESU-PSUBRWEKNA-N
[SMILES]

C(OCC)(=O)C1=CC=C(C(O[C@H]2[C@H](OC(=O)NC3C=C4C(=CC=3)OCO4)[C@@H](OC(=O)NC3C=C4C(=CC=3)OCO4)[C@@H](OC)O[C@@H]2CO)=O)C=C1 |&1:11,12,26,40,44,r|
Hazard InformationBack Directory
[Description]

BRD7552 is a small molecule that induces expression of pancreatic and duodenal homeobox 1 (PDX1), a transcription factor involved in pancreas development and function. BRD7552 dose-dependently increases PDX1 and insulin gene expression, as well as PDX1 protein levels, in PANC-1 cells. It also increases acetylation of histone H3 and trimethylation of H3K4 and H3K9.
[Uses]

BRD7552 upregulates PDX1 expression in both primary human islets and ductal cells.
[References]

[1] YUAN YUAN. A small-molecule inducer of PDX1 expression identified by high-throughput screening.[J]. Chemistry & biology, 2013, 20 12: 1513-1522. DOI: 10.1016/j.chembiol.2013.10.013
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 4-(((2R,3R,4S,5R,6S)-4,5-bis(benzo[d][1,3]dioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxy-tetrahydro-2H-pyran-3-yloxy)carbonyl)benzoate(1137359-47-7)MS
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