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AZ683

CAT: 0931-T89203-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T89203-01Size:25 mg
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CAS Number
953798-95-3
Bioactivity
AZ683 is an effective selective inhibitor of the 3-amino-4-anilinoquinoline CSF1R, demonstrating a high affinity for CSF1R (Ki=8 nM; IC50=6 nM) . It also possesses favorable oral bioavailability. [11C]AZ683 can be used as a positron emission tomography (PET) tracer for the colony stimulating factor 1 receptor (CSF1R) .
Smiles
O=C(N)C1=CN=C2C=C(OCC)C(=CC2=C1NC3=CC=C(F)C=C3F)N4CCN(C)CC4
Molecular Formula
C23H25F2N5O2
Molecular Weight
441.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CAS Number953798-95-3
PubChem CID16755780
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
Molecular FormulaC23H25F2N5O2
Molecular Weight441.5
XLogP3.6
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)N)N4CCN(CC4)C
InChI
InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
InChIKey
IBHNEKVLDKCEQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CAS: 953798-95-3
CID: 16755780
Formula: C23H25F2N5O2
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass441.19763138
Monoisotopic Mass441.19763138
Topological Polar Surface Area83.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
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
HY-159108-01AZ683

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