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Ca2+ -Langerin-IN-1

CAT: 0804-HY-W069974Size: 1 EachDry Ice: NoHazardous: No
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Description
Ca2+-Langerin-IN-1 (Compound 3) is a allosteric Langerin inhibitor. Langerin is a C-type lectin that is expressed on Langerhans cells and plays a crucial role in pathogen recognition and innate immune activation. The KD value of the CRD domain of murine Langerin protein for Ca2+-Langerin-IN-1 is 17 μM under the presence of Ca²⁺ and 53 μM under the absence of Ca²⁺ competition. Ca2+-Langerin-IN-1 induces conformational changes and competitively replaces Ca²⁺, thereby inhibiting the carbohydrate recognition function of the protein. Ca2+-Langerin-IN-1 can be used in the research of immunomodulatory therapy[1].
CAS Number
79932-56-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Calcium Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Inflammation/Immunology
Smiles
O=C1C(C(O)=O)=CN=C2N1C(C)=C(C)S2
Molecular Formula
C9H8N2O3S
Molecular Weight
224.24
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Ning Y, et al. Calcium Competitive Inhibition of Langerin by Thiazolopyrimidinones. J Med Chem. 2025 Dec 11;68 (23) :24924-24934.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2,3-Dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CAS Number79932-56-2
PubChem CID13253376
IUPAC Name2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Molecular FormulaC9H8N2O3S
Molecular Weight224.24
XLogP1.2
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity462
SMILES
CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C
InChI
InChI=1S/C9H8N2O3S/c1-4-5(2)15-9-10-3-6(8(13)14)7(12)11(4)9/h3H,1-2H3,(H,13,14)
InChIKey
NTILPFUDSBFNQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CAS: 79932-56-2
CID: 13253376
Formula: C9H8N2O3S
MW: 224.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.24
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass224.02556330
Monoisotopic Mass224.02556330
Topological Polar Surface Area95.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity462
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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