4,5-Difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate

HCID 155815744

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Basic information

CAS: 2375421-09-1
Standard SMILES: O=C(Nc1cc(F)c(F)cc1C(=O)[O-])c1ccc(-n2ccnc2)nn1
InChIKey: FTILLHFNTUUQIF-UHFFFAOYSA-N
Molecular formula: C15H8F2N5O3-
Average molar mass: 344.25 g/mol
Monoisotopic mass: 344.05952046

Names & identifiers

Preferred name: 4,5-Difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
IUPAC: 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
English name: SR-717
Molecular formula: C15H10F2LiN5O3
Molecular weight: 353.21

Names & synonyms

SR717NSC827802NSC-827802SR171SR-717SR-717 lithiumSR171&SR-717 lithiumSR-717 HydrochlorideSR-717, 10 mM in DMSOSR 717 (lithium salt)SR171(CAS:2375420-34-9)&SR-717 lithium4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate

Show more names

Lithium 2-(6-(1H-imidazol-1-yl)pyridazine-3-carboxamido)-4,5-difluorobenzoate

Database identifiers

CAS: 2375421-09-1
PubChem CID: 155815744

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: -1
Complexity: 506

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in DMSO (>25 mg/ml)
form: solid
color: Off-white
Water Solubility: 0.1 mg/mL · Water: < 0.1 mg/mL (insoluble)
Stability: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month1.
InChI: InChI=1S/C15H9F2N5O3.Li.H/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: FTILLHFNTUUQIF-UHFFFAOYSA-N
SMILES: N(C1C=C(F)C(F)=CC=1C(=O)O)C(C1N=NC(N2C=NC=C2)=CC=1)=O.[LiH]
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS09

Chemistry & industry

Applications · 2 items

DescriptionSR-717 (2375421-09-1) is a cell permeable and exceptionally selective STING agonist (IC50 = 7.8 μM). It displayed robust antitumor activity in B16.F10 melanoma and MC38 colorectal adenocarcinoma mouse models. SR-717 promoted the activation of CD8+ T, natural killer, and dendritic cells as well as promoting antigen cross-priming. It was able to induce PD-L1 expression in THP1 cells and in primary human PBMC’s.

UsesSR-717 is a non-nucleotide STING agonist with EC50s of 2.1 μM and 2.2 μM in ISG-THP1 (WT) and ISG-THP1 cGAS KO (cGAS KO) cell lines, respectively. SR-717 is a stable cyclic guanosine monophosphate-adenosine monophosphate (cGAMP) mimetic. Antitumor activity[1].

Suppliers62 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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