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TLR8 agonist 2 hydrochloride

CAT: 0013-GTR19189103Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189103Size:5 mg
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Description
TLR8 agonist 2 hydrochloride is a potent and selective human TLR8 activator (EC50 = 3 nM) with significantly weaker activity against TLR7 (EC50 = 33.33 μM) . This small molecule is a valuable research tool for studying TLR8-mediated immune signaling in vitro and has been utilized in investigations of antiviral and antitumor responses.
CAS Number
2412937-65-4
Field of Research
Immunology & Inflammation, Immunology & Inflammation; Pharmacology & Drug Discovery
Smiles
N ([C@@] (CC=1NC=NN1) (CCCC) C) C=2C3=C (N=C (N) N2) C=NC=C3.Cl
Molecular Formula
C16H22N8.xHCl
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TLR8 agonist 2 hydrochloride
CAS Number2412937-65-4
PubChem CID168440251
IUPAC Name4-N-[(2R)-2-methyl-1-(1H-1,2,4-triazol-5-yl)hexan-2-yl]pyrido[3,4-d]pyrimidine-2,4-diamine;hydrochloride
Molecular FormulaC16H23ClN8
Molecular Weight362.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity394
SMILES
CCCC[C@](C)(CC1=NC=NN1)NC2=NC(=NC3=C2C=CN=C3)N.Cl
InChI
InChI=1S/C16H22N8.ClH/c1-3-4-6-16(2,8-13-19-10-20-24-13)23-14-11-5-7-18-9-12(11)21-15(17)22-14;/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,20,24)(H3,17,21,22,23);1H/t16-;/m1./s1
InChIKey
BASUPWDVSSIUBD-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of TLR8 agonist 2 hydrochloride
CAS: 2412937-65-4
CID: 168440251
Formula: C16H23ClN8
MW: 362.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass362.1734205
Monoisotopic Mass362.1734205
Topological Polar Surface Area118 Ų
Heavy Atom Count25
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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