Chem
J-GLOBAL ID:200907044745812233   Nikkaji number:J328.681I

CGS-21680

CGS-21680
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C23H29N7O6
Molecular formula furigana: C23-H29-N7-O6
Molecular weight: 499.528
InChI: InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
InChI key: PAOANWZGLPPROA-RQXXJAGISA-N
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)O)cc3)nc12
Systematic name  (10):
  • 2-[[4-(3-オキソ-3-ヒドロキシプロピル)フェネチル]アミノ]-5′-オキソ-5′-(エチルアミノ)-5′-デオキシアデノシン
  • 2-[[4-(3-オキソ-3-ヒドロキシプロピル)フェネチル]アミノ]-5′-デオキシ-5′-オキソ-5′-(エチルアミノ)アデノシン
  • 2-[[4-(2-カルボキシエチル)フェネチル]アミノ]-5′-(エチルアミノ)-5′-オキソ-5′-デオキシアデノシン
  • 3-[4-[2-[6-アミノ-9-(5-エチルアミノ-5-デオキシ-5-オキソ-β-D-リボフラノシル)-9H-プリン-2-イルアミノ]エチル]フェニル]プロピオン酸
  • 1-デオキシ-N-エチル-1-[6-アミノ-2-[2-[4-(2-カルボキシエチル)フェニル]エチルアミノ]-9H-プリン-9-イル]-β-D-リボフラヌロンアミド
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Other name (4):
  • CGS-21680
  • 1-Deoxy-1-[6-amino-2-[2-[4-(2-carboxyethyl)phenyl]ethylamino]-9H-purin-9-yl]-N-ethyl-β-D-ribofuranuronamide
  • 2-[[2-[4-(2-Carboxyethyl)phenyl]ethyl]amino]-5′-ethylamino-5′-oxo-5′-deoxyadenosine
  • 2-[[2-[4-(3-Hydroxy-3-oxopropyl)phenyl]ethyl]amino]-5′-deoxy-5′-oxo-5′-(ethylamino)adenosine
CAS registry number: 120225-54-9
Application (1):
adenosine agonist
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