Name: STING agonist-3 trihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212670520
Cas No:2449393-01-3
常用名:STING agonist-3 trihydrochloride
常用名:STING agonist-3 trihydrochloride
别名:STING agonist-3 trihydrochloride (2138299-29-1 free base)
别名:STING agonist-3 trihydrochloride (2138299-29-1 free base)
IUPAC:1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-(3-hydroxypropoxy)-1H-1,3-benzodiazole-5-carboxamide trihydrochloride
IUPAC:1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-(3-hydroxypropoxy)-1H-1,3-benzodiazole-5-carboxamide trihydrochloride
InChI key:JMORLKPRVQRPOR-SYVONOGFSA-N

分子式:C37H45Cl3N12O6
分子量:860.2
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:1.4598662
SMILES:Cl.Cl.Cl.CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCO)c12)C(N)=O)C(N)=O
SMILES:Cl.Cl.Cl.CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCO)c12)C(N)=O)C(N)=O

STING agonist-3 trihydrochloride is a selective and non-nucleotide agonist of small-molecule STING(pEC50 and pEC50 of 7.5 and 9.5, respectively), has durable anti-tumor effect and tremendous potential to improve treatment of cancer.

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