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AZD0233

CAT: 0931-T210491-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T210491-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3036141-78-0
Target
CXCR
Related Pathways
Immunology/Inflammation, Autophagy, GPCR/G Protein
Bioactivity
AZD0233 is an orally active CX3CR1 antagonist that immunomodulates the CX3CR1/CX3CL1 signaling axis. It improves cardiac function in dilated cardiomyopathy mouse models while reducing macrophage infiltration and fibrotic scarring.
Smiles
C([C@@H](C)C=1C(F)=CC(OC)=NC1)C=2N=C(N[C@H](CC(C)C)CO)N=C(NS(C)(=O)=O)N2
Molecular Formula
C19H29FN6O4S
Molecular Weight
456.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

example 46 (isomer 2) [WO2024083933]
CAS Number3036141-78-0
PubChem CID171522487
IUPAC NameN-[4-[(2R)-2-(4-fluoro-6-methoxy-3-pyridinyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
Molecular FormulaC19H29FN6O4S
Molecular Weight456.5
XLogP2.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity637
SMILES
C[C@H](CC1=NC(=NC(=N1)NS(=O)(=O)C)N[C@H](CC(C)C)CO)C2=CN=C(C=C2F)OC
InChI
InChI=1S/C19H29FN6O4S/c1-11(2)6-13(10-27)22-18-23-16(24-19(25-18)26-31(5,28)29)7-12(3)14-9-21-17(30-4)8-15(14)20/h8-9,11-13,27H,6-7,10H2,1-5H3,(H2,22,23,24,25,26)/t12-,13-/m1/s1
InChIKey
BJHGVSXKHJAFFX-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of example 46 (isomer 2) [WO2024083933]
CAS: 3036141-78-0
CID: 171522487
Formula: C19H29FN6O4S
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass456.19550276
Monoisotopic Mass456.19550276
Topological Polar Surface Area148 Ų
Heavy Atom Count31
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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