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LHC-165

CAT: 0013-GTR19203641-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203641-01Size:25 mg
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Description
LHC-165 is a small molecule TLR7 agonist with demonstrated antitumor activity in preclinical studies. Its immunostimulatory properties are being investigated in vitro and in vivo for the potential treatment of various solid tumors.
CAS Number
1258595-14-0
Field of Research
Immunology & Inflammation
Smiles
NC1=C2C (=C3C (C=C (CCC (O) =O) C=C3) =N1) C=C (CCC4=C (C) C=C (OCCOCCC (P (=O) (O) O) (F) F) C=C4) C=N2
Molecular Formula
C29H32F2N3O7P
Molecular Weight
603.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lhc-165

TLR7 Agonist LHC165 is a benzonapthyridine Toll-like receptor (TLR) 7 agonist that is adsorbed to aluminum hydroxide with immunostimulating and potential antitumor activities. Upon intratumoral administration of TLR7 agonist LHC165, the agent is slowly released and targets, binds to and activates TLR7. This may trigger, in addition to other possible responses, the activation of cluster of differentiation (CD) 8+ T cells and natural killer (NK) cells, the blockage of the suppressive function of regulatory T cells (Tregs), and the production of interferon alpha (IFNa). TLR7 is a member of the TLR family, which plays a fundamental role in pathogen recognition and activation of innate immunity.

CAS Number1258595-14-0
PubChem CID49838259
IUPAC Name3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
Molecular FormulaC29H32F2N3O7P
Molecular Weight603.5
XLogP3.6
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity928
SMILES
CC1=C(C=CC(=C1)OCCOCCC(F)(F)P(=O)(O)O)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)CCC(=O)O
InChI
InChI=1S/C29H32F2N3O7P/c1-18-14-22(41-13-12-40-11-10-29(30,31)42(37,38)39)7-6-21(18)5-2-20-15-24-23-8-3-19(4-9-26(35)36)16-25(23)34-28(32)27(24)33-17-20/h3,6-8,14-17H,2,4-5,9-13H2,1H3,(H2,32,34)(H,35,36)(H2,37,38,39)
InChIKey
SDLWKRZBLTZSEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lhc-165
CAS: 1258595-14-0
CID: 49838259
Formula: C29H32F2N3O7P
MW: 603.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.5
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass603.19459369
Monoisotopic Mass603.19459369
Topological Polar Surface Area165 Ų
Heavy Atom Count42
Formal Charge0
Complexity928
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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