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LYP-IN-1

CAT: 0931-T38834-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38834-01Size:1 mg
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CAS Number
1404436-51-6
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9243
Bioactivity
LYP-IN-1 is a potent and highly selective inhibitor of lymphoid-specific tyrosine phosphatase (LYP), with a Ki value of 110 nM and an IC50 of 0.259 μM. LYP-IN-1 exhibits additional selectivity against a broad range of PTPs, including SHP1 (IC50 = 5 μM) and SHP2 (IC50 = 2.5 μM) . LYP-IN-1 demonstrates strong efficacy in both T cells and mast cells, making it a valuable compound for research into autoimmune disorders and immune signaling pathways.
Smiles
OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Molecular Formula
C28H20ClNO6
Molecular Weight
501.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lyp-IN-1
CAS Number1404436-51-6
PubChem CID70673568
IUPAC Name3-[2-(3-chlorophenyl)ethynyl]-2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]-6-hydroxy-1-benzofuran-5-carboxylic acid
Molecular FormulaC28H20ClNO6
Molecular Weight501.9
XLogP6.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity872
SMILES
C1CC1NC(=O)COC2=CC=C(C=C2)C3=C(C4=CC(=C(C=C4O3)O)C(=O)O)C#CC5=CC(=CC=C5)Cl
InChI
InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
InChIKey
IIURSEJMCKFEQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lyp-IN-1
CAS: 1404436-51-6
CID: 70673568
Formula: C28H20ClNO6
MW: 501.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.9
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass501.0979151
Monoisotopic Mass501.0979151
Topological Polar Surface Area109 Ų
Heavy Atom Count36
Formal Charge0
Complexity872
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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