Name: 2',3'-cGAMP-C2-PPA
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323605
Cas No:2586047-11-0
常用名:2',3'-cGAMP-C2-PPA
别名:2',3'-cGAMP-C2-PPA
IUPAC:4-({2-[(1R,6R,8R,9R,10S,15S,17R)-17-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-18-yl]ethyl}disulfanyl)pentanoic acid
IUPAC:4-({2-[(1R,6R,8R,9R,10S,15S,17R)-17-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-8-(6-amino-9H-purin-9-yl)-3,9,12-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-18-yl]ethyl}disulfanyl)pentanoic acid
InChI key:IBPLNKRENHFZJM-RMMNHKBQSA-N

分子式:C27H36N10O14P2S2
分子量:850.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])(C1CCSSC(C)CCC(O)=O)[C@@H](O2)n1cnc2c1[nH]c(N)nc2=O)n1cnc2c(N)ncnc12
SMILES:[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])(C1CCSSC(C)CCC(O)=O)[C@@H](O2)n1cnc2c1[nH]c(N)nc2=O)n1cnc2c(N)ncnc12

2',3'-cGAMP-C2-PPA (45) is a cyclic di-nucleotide that acts as a STING agonist (US20210015941A1). It is a drug-linker conjugate for antibody-drug conjugates (ADC) used in the targeted treatment of cancer.

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