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3M-003

CAT: 0931-T29413-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29413-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162397-26-4
Target
Others
Related Pathways
Others
Bioactivity
3M-003 interacts with Toll-like receptor-7 (TLR-7) and TLR-8. 3M-003 acts directly on macrophages to enhance fungal killing and stimulates PBMC to produce soluble factors that enhance killing by neutrophils, macrophages, and monocytes. 3M-003 could be a candidate for antifungal immunotherapy.
Smiles
OC(C)(C)CN1C2=C(N=C1COCC)C(=NC3=C2CCCC3)N
Molecular Formula
C17H26N4O2
Molecular Weight
318.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-Amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CAS Number162397-26-4
PubChem CID9901563
IUPAC Name1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Molecular FormulaC17H26N4O2
Molecular Weight318.4
XLogP1.2
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
CCOCC1=NC2=C(N1CC(C)(C)O)C3=C(CCCC3)N=C2N
InChI
InChI=1S/C17H26N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h22H,4-10H2,1-3H3,(H2,18,19)
InChIKey
JGPXFNFCEPOWRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-Amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CAS: 162397-26-4
CID: 9901563
Formula: C17H26N4O2
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass318.20557608
Monoisotopic Mass318.20557608
Topological Polar Surface Area86.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity406
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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