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Elastase-IN-3

CAT: 0804-HY-W104758-07Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W104758-07Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Elastase-IN-3 (Compound 2i) is an Elastase inhibitor of Pseudomonas aeruginosa. Elastase-IN-3 inhibits the quorum sensing system of Pseudomonas aeruginosa by targeting the LasR protein (KD value of 7.04 M), thereby preventing food spoilage caused by Pseudomonas aeruginosa[1].
CAS Number
15015-57-3
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Antibiotic; Bacterial; Elastase
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/elastase-in-3.html
Purity
99.71
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OC(C=C1)=CC=C1SSC2=CC=C(O)C=C2
Molecular Formula
C12H10O2S2
Molecular Weight
250.34
Precautions
H315, H319
References & Citations
[1]Zhang ZS, et al. Structure-Based Discovery of Symmetric Disulfides from Garlic Extract as Pseudomonas aeruginosa Quorum Sensing Inhibitors. J Agric Food Chem. 2024 Sep 4.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[(4-Hydroxyphenyl)disulfanyl]phenol
CAS Number15015-57-3
PubChem CID280665
IUPAC Name4-[(4-hydroxyphenyl)disulfanyl]phenol
Molecular FormulaC12H10O2S2
Molecular Weight250.3
XLogP3.7
Topological Polar Surface Area91.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity175
SMILES
C1=CC(=CC=C1O)SSC2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
XGKGITBBMXTKTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(4-Hydroxyphenyl)disulfanyl]phenol
CAS: 15015-57-3
CID: 280665
Formula: C12H10O2S2
MW: 250.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass250.01222190
Monoisotopic Mass250.01222190
Topological Polar Surface Area91.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity175
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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