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SRT3109

CAT: 0931-T3047-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3047-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1204707-71-0
Target
CXCR
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Autophagy
Purity
0.9992
Bioactivity
SRT3109 is a CXCR2 ligand used in the treatment of chemokine mediated diseases and conditions.
Smiles
C[C@@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO
Molecular Formula
C18H23F2N5O4S2
Molecular Weight
475.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-5122

a CXCR2 receptor antagonist; structure in first source

CAS Number1204707-71-0
PubChem CID44602493
IUPAC NameN-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
Molecular FormulaC18H23F2N5O4S2
Molecular Weight475.5
XLogP2.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity670
SMILES
C[C@H]([C@H](CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
InChI
InChI=1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1
InChIKey
QVKPEMXUBULFBM-RISCZKNCSA-N
Chemical Structure
2D Structure
2D structure of Azd-5122
CAS: 1204707-71-0
CID: 44602493
Formula: C18H23F2N5O4S2
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass475.11595290
Monoisotopic Mass475.11595290
Topological Polar Surface Area161 Ų
Heavy Atom Count31
Formal Charge0
Complexity670
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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CatalogName
T16933-01SRT3190

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