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BNT411

CAT: 0931-T85865-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85865-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2296821-50-4
Target
TLR
Related Pathways
Immunology/Inflammation
Bioactivity
BNT411, a selective TLR7 agonist, induces IFNα release both in vivo and in vitro. With anticancer activity, BNT411 is applicable in cancer research, including non-small cell lung cancer, pancreatic cancer, and untreated extensive-stage small cell lung cancer (ES-SCLC) [1].
Smiles
C(CCCN(C(C)=O)C1CCOCC1)N2C=3C=4C(N=C(N)C3N=C2CCOC)=CC=CC4
Molecular Formula
C24H33N5O3
Molecular Weight
439.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide
CAS Number2296821-50-4
PubChem CID137549752
IUPAC NameN-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide
Molecular FormulaC24H33N5O3
Molecular Weight439.6
XLogP2.1
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity602
SMILES
CC(=O)N(CCCCN1C(=NC2=C1C3=CC=CC=C3N=C2N)CCOC)C4CCOCC4
InChI
InChI=1S/C24H33N5O3/c1-17(30)28(18-9-15-32-16-10-18)12-5-6-13-29-21(11-14-31-2)27-22-23(29)19-7-3-4-8-20(19)26-24(22)25/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H2,25,26)
InChIKey
MOTWRGZBKMOCKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide
CAS: 2296821-50-4
CID: 137549752
Formula: C24H33N5O3
MW: 439.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass439.25833993
Monoisotopic Mass439.25833993
Topological Polar Surface Area95.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity602
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

Alternative Products

CatalogName
BA6325-5BNT411

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