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PythiDC

CAT: 0804-HY-103070-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103070-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PythiDC is a selective collagen prolyl 4-hydroxylase (CP4H1) inhibitor with an IC50 value of 4.0 μM. PythiDC can be used as a CP4H probe and also can be used for the development of a new class of antifibrotic and antimetastatic agents[1].
CAS Number
1821370-71-1
UNSPSC
12352005
Target
MMP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pythidc.html
Purity
99.05
Solubility
DMSO : 4.9 mg/mL (ultrasonic; warming; adjust pH to 4 with HCl; heat to 60°C)
Smiles
O=C(C1=CC=C(C2=NC=C(C(O)=O)S2)N=C1)O
Molecular Formula
C10H6N2O4S
Molecular Weight
250.23
References & Citations
[1]Vasta JD, et al. Selective Inhibition of Collagen Prolyl 4-Hydroxylase in Human Cells. ACS Chem Biol. 2016 Jan 15;11 (1) :193-9.
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

pythiDC
CAS Number1821370-71-1
PubChem CID122554526
IUPAC Name2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
Molecular FormulaC10H6N2O4S
Molecular Weight250.23
XLogP1
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity325
SMILES
C1=CC(=NC=C1C(=O)O)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C10H6N2O4S/c13-9(14)5-1-2-6(11-3-5)8-12-4-7(17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKey
ISYUGJYTQIZJHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of pythiDC
CAS: 1821370-71-1
CID: 122554526
Formula: C10H6N2O4S
MW: 250.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.23
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass250.00482785
Monoisotopic Mass250.00482785
Topological Polar Surface Area129 Ų
Heavy Atom Count17
Formal Charge0
Complexity325
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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BA8034-5PythiDC
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