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SR-717 free acid

CAT: 0013-GTR19189184-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189184-01Size:5 mg
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Description
SR-717 free acid is a stable, non-nucleotide STING agonist that functions as a cGAMP mimetic. It demonstrates potent antitumor activity in vitro, with EC50 values of approximately 2.1-2.2 μM in both wild-type and cGAS knockout reporter cell lines, supporting its use in immuno-oncology research.
CAS Number
2375420-34-9
Field of Research
Immunology & Inflammation
Smiles
OC (=O) c1cc (F) c (F) cc1NC (=O) c1ccc (nn1) -n1ccnc1
Molecular Formula
C15H9F2N5O3
Molecular Weight
345.266
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SR-717 free acid
CAS Number2375420-34-9
PubChem CID139434659
IUPAC Name4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
Molecular FormulaC15H9F2N5O3
Molecular Weight345.26
XLogP1.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity512
SMILES
C1=CC(=NN=C1C(=O)NC2=CC(=C(C=C2C(=O)O)F)F)N3C=CN=C3
InChI
InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25)
InChIKey
WEBVQIJGIZVRGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-717 free acid
CAS: 2375420-34-9
CID: 139434659
Formula: C15H9F2N5O3
MW: 345.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.26
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass345.06734549
Monoisotopic Mass345.06734549
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity512
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

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