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ETI41

CAT: 0013-GTR19273561-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273561-01Size:50 mg
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Description
ETI41 is an orally active selective TLR inhibitor that targets the nucleoside-binding site I of TLR7 (IC50= 0.63 μM) and TLR9 (IC50= 0.16 μM), without affecting surface TLRs (including TLR1/TLR2, TLR2/TLR6, TLR4, and TLR5) . It demonstrates nanomolar activity in cell-based, biophysical, and in vivo studies, effectively inhibiting endosomal TLR-mediated pro-inflammatory signaling. ETI41 suppresses the expression of inflammation-related genes and significantly improves symptoms in mouse models of psoriasis and systemic lupus erythematosus (SLE) . ETI41 is applicable in research related to autoimmune and inflammatory diseases.
CAS Number
2773474-99-8
Smiles
N=1C2=C (C=C (N2CCCN (C) C) C) C (N) =C3C1CCCCCC3
Molecular Formula
C19H30N4
Molecular Weight
314.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[3-(Dimethylamino)propyl]-5-methyl-2,4-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-amine
CAS Number2773474-99-8
PubChem CID163381632
IUPAC Name4-[3-(dimethylamino)propyl]-5-methyl-2,4-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-amine
Molecular FormulaC19H30N4
Molecular Weight314.5
XLogP3.6
Topological Polar Surface Area47.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity372
SMILES
CC1=CC2=C(C3=C(CCCCCC3)N=C2N1CCCN(C)C)N
InChI
InChI=1S/C19H30N4/c1-14-13-16-18(20)15-9-6-4-5-7-10-17(15)21-19(16)23(14)12-8-11-22(2)3/h13H,4-12H2,1-3H3,(H2,20,21)
InChIKey
SWJRKISLPFBTSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-(Dimethylamino)propyl]-5-methyl-2,4-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraen-8-amine
CAS: 2773474-99-8
CID: 163381632
Formula: C19H30N4
MW: 314.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass314.24704697
Monoisotopic Mass314.24704697
Topological Polar Surface Area47.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity372
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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CatalogName
HY-178166-01ETI41

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