Account Rel-(2R,3R,4R,5S,6S)-6-(((1S,3S)-3-cyano-3-(4-(2-((pyridin-4-ylmethyl)amino)nicotinamido)phenyl)cyclopentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACAQOQ593
- CAS No. :
- 1376331-61-1
- Molecular Formula :
- C30H31N5O8
- Molecular Weight :
- 589.60
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((1R,3R)-3-cyano-3-(4-(2-((pyridin-4-ylmethyl)amino)nicotinamido)phenyl)cyclopentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Rel-(2R,3R,4R,5S,6S)-6-(((1S,3S)-3-cyano-3-(4-(2-((pyridin-4-ylmethyl)amino)nicotinamido)phenyl)cyclopentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((1R,3R)-3-cyano-3-(4-(2-((pyridin-4-ylmethyl)amino)nicotinamido)phenyl)cyclopentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C30H31N5O8 |
| Molecular Weight | 589.60 |
| SMILES | N#C[C@]1(C2=CC=C(NC(=O)C3=CC=CN=C3NCC3=CC=NC=C3)C=C2)CC[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1 |
| InChI Key | PSKAPWHLYYIXRO-ZCQFVZIDSA-N |
| Synonym | [rel-(1R,3R)]-3-Cyano-3-[4-[[[2-[(4-pyridinylMethyl)aMino]-3-pyridinyl]carbonyl]aMino]phenyl]cyclopentyl β-D-Glucopyranosiduronic Acid;cis-3-Hydroxy-apatinib-O-glucuronide;rac cis-3-Hydroxy Apatinib 3-O-β-D-Glucuronide;β-D-Glucopyranosiduronic acid, [rel-(1R,3R)]-3-cyano-3-[4-[[[2-[(4-pyridinylmethyl)amino]-3-pyridinyl]carbonyl]amino]phenyl]cyclopentyl;rac cis-3-Hydroxy Apatiniβ-β-O-β-D-Glucuronide;rac cis-3-Hydroxy Apatinib 3-O-β-D-Glucuronide |
| CAS No. | 1376331-61-1 |
Synthetic Route by SureRoute
2. ACAQOQ593 Molecular Building Block Synthetic Route
Rel-N-(4-((1R,3S)-1-cyano-3-hydroxycyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
4-(((3-((4-(1-Cyanocyclopentyl)phenyl)carbamoyl)pyridin-2-yl)amino)methyl)pyridine 1-oxide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-(4-(1-oxoisoindolin-2-yl)phenyl)propoxy)tetrahydro-2H-pyran-2-carboxylic acid