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Diethyl-pythiDC

CAT: 0013-GTR19175380-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19175380-03Size:1 ml x 10 mM (in DMSO)
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Description
Diethyl-pythiDC is a small molecule inhibitor of collagen prolyl 4-hydroxylase (C-P4H) . This compound is used in biochemical research to study collagen biosynthesis and has applications in investigating fibrotic diseases and connective tissue disorders in both cellular and animal models.
CAS Number
1821370-70-0
Product Name Alternative
Collagen prolyl 4-hydroxylase, CP4H, DiethylpythiDC, Diethyl-pythiDC, Diethyl pythiDC, Inhibitor, inhibit
Field of Research
Metabolism Research, Protein Biochemistry
Purity
98.87% (May vary between batches)
Solubility
DMSO:10 mg/mL (32.64 mM) ;10% DMSO+90% Corn Oil:1 mg/mL (3.26 mM)
Smiles
CCOC (=O) c1cnc (s1) -c1ccc (cn1) C (=O) OCC
Molecular Formula
C14H14N2O4S
Molecular Weight
306.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diethyl-pythiDC
CAS Number1821370-70-0
PubChem CID122554535
IUPAC Nameethyl 2-(5-ethoxycarbonyl-2-pyridinyl)-1,3-thiazole-5-carboxylate
Molecular FormulaC14H14N2O4S
Molecular Weight306.34
XLogP2.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity380
SMILES
CCOC(=O)C1=CN=C(C=C1)C2=NC=C(S2)C(=O)OCC
InChI
InChI=1S/C14H14N2O4S/c1-3-19-13(17)9-5-6-10(15-7-9)12-16-8-11(21-12)14(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKey
NSMODRMOSSBWGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl-pythiDC
CAS: 1821370-70-0
CID: 122554535
Formula: C14H14N2O4S
MW: 306.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.34
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass306.06742811
Monoisotopic Mass306.06742811
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity380
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