Account Methyl trans-4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)cyclohexane-1-carboxylate
- Catalog No. :
- ACHQIC671
- CAS No. :
- 250386-15-3
- Molecular Formula :
- C23H30N6O6
- Molecular Weight :
- 486.53
IUPAC Name:methyl (1R,4r)-4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)cyclohexane-1-carboxylate
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Product Information
| Product Name | Methyl trans-4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)cyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | methyl (1R,4r)-4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)cyclohexane-1-carboxylate |
| MDL No. | MFCD18252457 |
| Molecular Formula | C23H30N6O6 |
| Molecular Weight | 486.53 |
| SMILES | O=C([C@H]1CC[C@H](CC#CC2=NC(N)=C3N=CN([C@@H]4O[C@H](C(NCC)=O)[C@@H](O)[C@H]4O)C3=N2)CC1)OC |
| InChI Key | FLEVIENZILQUKB-XTWQNQIISA-N |
| Synonym | GAEQWKVGMHUUKO-UHFFFAOYSA-N | APADENOSON [INN] | SCHEMBL13259768 | Apadenoson | Cyclohexanecarboxylic acid, 4-(3-(6-amino-9-(N-ethyl-b-d-ribofuranuronamidosyl)-9H-purin-2-yl)-2-propynyl)-, methyl ester, trans- | ATL 146e | methyl 4-[3-[6-amino-9-[(2R,3R |
| CAS No. | 250386-15-3 |
| PubChem CID | 9805430 |
Synthetic Route by SureRoute
2. ACHQIC671 Molecular Building Block Synthetic Route
(2S,3S,4R,5R)-5-(6-Amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
Evodenoson
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide