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Batatasin IV

CAT: 0804-HY-N8760Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8760Size:5 mg
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Description
Batatasin IV is an LTA4H inhibitor with anti-inflammatory activity. Batatasin IV is also a natural product that can be obtained from Dioscorea batatus. Batatasin IV can be used in research in the area of inflammation[1].
CAS Number
60347-67-3
UNSPSC
12352005
Target
Aminopeptidase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/batatasin-iv.html
Purity
98.33
Solubility
10 mM in DMSO
Smiles
OC1=CC(OC)=CC(CCC2=CC=CC=C2O)=C1
Molecular Formula
C15H16O3
Molecular Weight
244.29
References & Citations
[1]Greg Petruncio, et al. Utilizing a copper-free Sonogashira reaction in the synthesis of the leukotriene a4 hydrolase modulator batatasin IV. Tetrahedron Lett. 2020 Nov 19;61 (47) :152547.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Batatasin Iv

Batatasin IV is a stilbenoid.

CAS Number60347-67-3
PubChem CID181271
IUPAC Name3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP3.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity244
SMILES
COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O
InChI
InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
InChIKey
IUMFLNFLJUUODE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Batatasin Iv
CAS: 60347-67-3
CID: 181271
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area49.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity244
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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