Account CD73-IN-14
- Catalog No. :
- ACYRTY567
- CAS No. :
- 2407356-67-4
- Molecular Formula :
- C26H26ClN7O9
- Molecular Weight :
- 615.99
IUPAC Name:2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-ethynyl-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-2-(4-(2-oxotetrahydropyrimidin-1(2H)-yl)benzyl)malonic acid
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Product Information
| Product Name | CD73-IN-14 |
|---|---|
| IUPAC Name | 2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-ethynyl-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-2-(4-(2-oxotetrahydropyrimidin-1(2H)-yl)benzyl)malonic acid |
| Molecular Formula | C26H26ClN7O9 |
| Molecular Weight | 615.99 |
| SMILES | O[C@H]1[C@@](O[C@H](COC(CC2=CC=C(C=C2)N3C(=O)NCCC3)(C(O)=O)C(O)=O)[C@@]1(C#C)O)(N4C=5C(N=C4)=C(N)N=C(Cl)N5)[H] |
| InChI Key | ROWSPNRRBJYDCU-IRJNKLFQSA-N |
| Synonym | Adenosine, 2-chloro-5′-O-[1,1-dicarboxy-2-[4-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)phenyl]ethyl]-3′-C-ethynyl- |
| CAS No. | 2407356-67-4 |
Synthetic Route by SureRoute
2. ACYRTY567 Molecular Building Block Synthetic Route
(2S,3S,4R,5R)-5-(6-Amino-2-((4-(3-((2-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)ethyl)amino)-3-oxopropyl)phenethyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
1-(3-((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea
Mal-VC-PAB-(N-Me-amide-C3)-ADU-S100