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LAPTc-IN-1

CAT: 0804-HY-161299Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161299Size:1 Each
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Description
LAPTc-IN-1 (compound 4) is a competitive inhibitor targeting acidic M17 leucinopeptidase (LAPTc) with Ki=0.27 μM. LAPTc-IN-1 is a potential antagonist of the parasite Trypanosoma cruzi[1].
CAS Number
930898-33-2
UNSPSC
12352005
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/laptc-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=NC(C2=NC=CC=C2)=CS1)C(O3)=C(C)C4=C3C=CC(OC)=C4
Molecular Formula
C19H15N3O3S
Molecular Weight
365.41
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CAS Number930898-33-2
PubChem CID2660566
IUPAC Name5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
Molecular FormulaC19H15N3O3S
Molecular Weight365.4
XLogP3.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC(=CS3)C4=CC=CC=N4
InChI
InChI=1S/C19H15N3O3S/c1-11-13-9-12(24-2)6-7-16(13)25-17(11)18(23)22-19-21-15(10-26-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23)
InChIKey
VHJWCYAHCSYBEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CAS: 930898-33-2
CID: 2660566
Formula: C19H15N3O3S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass365.08341252
Monoisotopic Mass365.08341252
Topological Polar Surface Area105 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
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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