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PF-4878691

CAT: 0013-GTR19174529-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174529-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-4878691
CAS Number
532959-63-0
Product Name Alternative
3M-852A, inhibit, Inhibitor, TLR, TLR7, PF-4878691, PF4878691, PF 4878691, Toll-like Receptor (TLR)
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Protein Biochemistry
Purity
98.43% (May vary between batches)
Solubility
DMSO:19.23 mg/mL (53.2 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1.5 mg/mL (4.15 mM)
Smiles
CCc1nc2c (N) nc3ccccc3c2n1CCCCNS (C) (=O) =O
Molecular Formula
C17H23N5O2S
Molecular Weight
361.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide

852A has been used in trials studying the treatment of Melanoma, Neoplasms, Breast Cancer, Ovarian Cancer, and Cervical Cancer, among others.

CAS Number532959-63-0
PubChem CID10309114
IUPAC NameN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
Molecular FormulaC17H23N5O2S
Molecular Weight361.5
XLogP1.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity538
SMILES
CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
InChIKey
YZOQZEXYFLXNKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide
CAS: 532959-63-0
CID: 10309114
Formula: C17H23N5O2S
MW: 361.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass361.15724617
Monoisotopic Mass361.15724617
Topological Polar Surface Area111 Ų
Heavy Atom Count25
Formal Charge0
Complexity538
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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