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3-CPs

CAT: 0804-HY-U00265-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00265-01Size:1 mg
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Description
3-CPs is a serotype capsular polysaccharide which can interfere with antibody-mediated bacterial killing.
CAS Number
20073-24-9
Product Name Alternative
3-Carbethoxypsoralen; 3-Ethoxycarbonylpsoralen
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/3-CPs.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC2=CC3=C(OC=C3)C=C2OC1=O)OCC
Molecular Formula
C14H10O5
Molecular Weight
258.23
References & Citations
[1]Silva EB, et al. Modulation of the UVB-induced lethality by furocoumarins in Staphylococcus aureus. J Photochem Photobiol B. 2014 Jan 5;130:260-3. doi: 10.1016/j.jphotobiol.2013.11.012.|[2]Choi EH, et al. Capsular Polysaccharide (CPS) Release by Serotype 3 Pneumococcal Strains Reduces the Protective Effect of Anti-Type 3 CPS Antibodies.|[3]Silva EB, et al. Modulation of the UVB-induced lethality by furocoumarins in Staphylococcus aureus. J Photochem Photobiol B. 2014 Jan 5;130:260-3.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate

3-(ethoxycarbonyl)psoralen is an ethyl ester and a member of psoralens.

CAS Number20073-24-9
PubChem CID62739
IUPAC Nameethyl 7-oxofuro[3,2-g]chromene-6-carboxylate
Molecular FormulaC14H10O5
Molecular Weight258.23
XLogP2.7
Topological Polar Surface Area65.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity428
SMILES
CCOC(=O)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
InChI
InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3
InChIKey
CFQAMEDTKHNQTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate
CAS: 20073-24-9
CID: 62739
Formula: C14H10O5
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass258.05282342
Monoisotopic Mass258.05282342
Topological Polar Surface Area65.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity428
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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