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Diethyl bipy55'DC

CAT: 0804-HY-116893-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116893-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Diethyl bipy55'DC is an inhibitor of collagen proline 4-hydroxylases (CP4Hs) with antifibrotic and anti-metastatic activities. Diethyl bipy55'DC can inhibit CP4H activity in cultured cells at concentrations that do not cause iron deficiency[1].
CAS Number
1762-46-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HIF/HIF Prolyl-Hydroxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/diethyl-bipy55-dc.html
Purity
98.79
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CN=C(C2=CC=C(C(OCC)=O)C=N2)C=C1)OCC
Molecular Formula
C16H16N2O4
Molecular Weight
300.31
Precautions
H302, H315, H319, H335
References & Citations
[1]Vasta J D, et al. Selective inhibition of collagen prolyl 4-hydroxylase in human cells[J]. ACS chemical biology, 2016, 11 (1) : 193-199.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
CAS Number1762-46-5
PubChem CID12227215
IUPAC Nameethyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
Molecular FormulaC16H16N2O4
Molecular Weight300.31
XLogP1.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity352
SMILES
CCOC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKey
IUNBUYCOAQHBMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
CAS: 1762-46-5
CID: 12227215
Formula: C16H16N2O4
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass300.11100700
Monoisotopic Mass300.11100700
Topological Polar Surface Area78.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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