Home Sulfos N-[4-(4-Amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-methylesulfonamide

N-[4-(4-Amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-methylesulfonamide

CAS No.:
532959-63-0
Catalog Number:
AG01EFH5
Molecular Formula:
C17H23N5O2S
Molecular Weight:
361.4618
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$1883
- +
5mg
99%
1 week
United States
$2979
- +
10mg
99%
1 week
United States
$4732
- +
Product Description
Catalog Number:
AG01EFH5
Chemical Name:
N-[4-(4-Amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-methylesulfonamide
CAS Number:
532959-63-0
Molecular Formula:
C17H23N5O2S
Molecular Weight:
361.4618
MDL Number:
MFCD30533308
IUPAC Name:
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
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)
InChI Key:
YZOQZEXYFLXNKA-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N
UNII:
6PJC3KPK6S
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.157g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
361.464g/mol
Monoisotopic Mass:
361.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility. Bioorganic & medicinal chemistry letters 20130201
Therapy with TLR7 agonists induces lymphopenia: correlating pharmacology to mechanism in a mouse model. Journal of clinical immunology 20121001
Prolonged subcutaneous administration of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced hematologic malignancies. American journal of hematology 20121001
Toll-like receptor-7 agonist administered subcutaneously in a prolonged dosing schedule in heavily pretreated recurrent breast, ovarian, and cervix cancers. Cancer immunology, immunotherapy : CII 20101201
TLR7 agonist 852A inhibition of tumor cell proliferation is dependent on plasmacytoid dendritic cells and type I IFN. Journal of interferon & cytokine research : the official journal of the International Society for Interferon and Cytokine Research 20080401
An exploratory study of systemic administration of the toll-like receptor-7 agonist 852A in patients with refractory metastatic melanoma. Clinical cancer research : an official journal of the American Association for Cancer Research 20080201
Comparison of human B cell activation by TLR7 and TLR9 agonists. BMC immunology 20080101
First in human phase I trial of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced cancer. Clinical cancer research : an official journal of the American Association for Cancer Research 20071201
Properties