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BRD7552

CAT: 0804-HY-19694-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19694-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD7552, a potent PDX1 transcription factor inducer, upregulates PDX1 expression in both primary human islets and ductal cells, and induces epigenetic changes in the PDX1 promoter consistent with transcriptional activation. BRD7552 increases insulin expression. PDX1 is a key transcription factor involved in pancreas development and β cell function[1].
CAS Number
1137359-47-7
UNSPSC
12352005
Target
Insulin Receptor
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/BRD7552.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC[C@@H](O1)[C@@H](OC(NC2=CC=C(C(OCC)=O)C=C2)=O)[C@H](OC(NC3=CC=C(OCO4)C4=C3)=O)[C@@H](OC(NC5=CC=C(OCO6)C6=C5)=O)[C@H]1OC
Molecular Formula
C33H33N3O15
Molecular Weight
711.63
References & Citations
[1]Yuan Y, et al. A small-molecule inducer of PDX1 expression identified by high-throughput screening [published correction appears in Chem Biol. 2014 Feb 20;21 (2) :306]. Chem Biol. 2013;20 (12) :1513-1522.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ethyl 4-(((((2R,3R,4S,5R,6S)-4,5-bis((benzo[d][1,3]dioxol-5-ylcarbamoyl)oxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)carbonyl)amino)benzoate
CAS Number1137359-47-7
PubChem CID23891512
IUPAC Nameethyl 4-[[(2R,3R,4S,5R,6S)-4,5-bis(1,3-benzodioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxycarbonylamino]benzoate
Molecular FormulaC33H33N3O15
Molecular Weight711.6
XLogP3.1
Topological Polar Surface Area217
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Heavy Atom Count51
Formal Charge0
Complexity1200
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)NC3=CC4=C(C=C3)OCO4)OC(=O)NC5=CC6=C(C=C5)OCO6)OC)CO
InChI
InChI=1S/C33H33N3O15/c1-3-43-29(38)17-4-6-18(7-5-17)34-31(39)49-26-25(14-37)48-30(42-2)28(51-33(41)36-20-9-11-22-24(13-20)47-16-45-22)27(26)50-32(40)35-19-8-10-21-23(12-19)46-15-44-21/h4-13,25-28,30,37H,3,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27+,28-,30+/m1/s1
InChIKey
AAOLIMLEFKWKOY-IXMSMLDRSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-(((((2R,3R,4S,5R,6S)-4,5-bis((benzo[d][1,3]dioxol-5-ylcarbamoyl)oxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)carbonyl)amino)benzoate
CAS: 1137359-47-7
CID: 23891512
Formula: C33H33N3O15
MW: 711.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.6
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count14
Exact Mass711.19116735
Monoisotopic Mass711.19116735
Topological Polar Surface Area217 Ų
Heavy Atom Count51
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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