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TLR7/8 agonist 7

CAT: 0013-GTR19212610-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212610-01Size:25 mg
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Description
TLR7/8 agonist 7 is a potent small molecule activator of immune cells, crucial for constructing Immune-Stimulating Antibody Conjugates (ISACs) . It is widely used in immunology research to study innate immune activation and has demonstrated utility in both in vitro cell-based assays and in vivo preclinical models of oncology and infectious disease.
CAS Number
2567953-47-1
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery; Cell Biology
Smiles
C (N1CC2 (C1) CNCCO2) C3=CC (OC) =C (CN4C=5C (C=C4) =NC (N) =NC5NCCCCC) C=C3
Molecular Formula
C26H37N7O2
Molecular Weight
479.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TLR7/8 agonist 7
CAS Number2567953-47-1
PubChem CID155390586
IUPAC Name5-[[2-methoxy-4-(5-oxa-2,8-diazaspiro[3.5]nonan-2-ylmethyl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
Molecular FormulaC26H37N7O2
Molecular Weight479.6
XLogP2.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity664
SMILES
CCCCCNC1=NC(=NC2=C1N(C=C2)CC3=C(C=C(C=C3)CN4CC5(C4)CNCCO5)OC)N
InChI
InChI=1S/C26H37N7O2/c1-3-4-5-9-29-24-23-21(30-25(27)31-24)8-11-33(23)15-20-7-6-19(13-22(20)34-2)14-32-17-26(18-32)16-28-10-12-35-26/h6-8,11,13,28H,3-5,9-10,12,14-18H2,1-2H3,(H3,27,29,30,31)
InChIKey
WVNYXLRVTKFPOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TLR7/8 agonist 7
CAS: 2567953-47-1
CID: 155390586
Formula: C26H37N7O2
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass479.30087345
Monoisotopic Mass479.30087345
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity664
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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