Products for Research Use Only

Lodelaben

CAT: 0013-GTR19205526-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205526-02Size:5 mg
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Description
Lodelaben (Declaben, SC-39026) is a specific and potent reversible, non-competitive inhibitor of human neutrophil elastase (HNE), with an IC50 of 0.5 μM and a Ki of 1.5 μM. This small molecule is a valuable research tool for studying HNE's role in inflammatory diseases such as COPD and cystic fibrosis in both in vitro and in vivo experimental models.
CAS Number
111149-90-7
Product Name Alternative
Elastase, Lodelaben, Declaben, SC39026, SC-39026, SC 39026
Field of Research
Protein Biochemistry
Purity
99.62% (May vary between batches)
Smiles
O=C (O) C1=CC=C (C=C1Cl) C (O) CCCCCCCCCCCCCCCCC
Molecular Formula
C25H41ClO3
Molecular Weight
425.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
CAS Number111149-90-7
PubChem CID56557
IUPAC Name2-chloro-4-(1-hydroxyoctadecyl)benzoic acid
Molecular FormulaC25H41ClO3
Molecular Weight425.0
XLogP10.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count29
Formal Charge0
Complexity402
SMILES
CCCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C(=O)O)Cl)O
InChI
InChI=1S/C25H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)21-18-19-22(25(28)29)23(26)20-21/h18-20,24,27H,2-17H2,1H3,(H,28,29)
InChIKey
SYCYJNHKNPPDAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
CAS: 111149-90-7
CID: 56557
Formula: C25H41ClO3
MW: 425.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.0
XLogP310.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass424.2744229
Monoisotopic Mass424.2744229
Topological Polar Surface Area57.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes