Account Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal
- Catalog No. :
- ACTRNB708
- CAS No. :
- 2345732-89-8
- Molecular Formula :
- C47H53N4O14P
- Molecular Weight :
- 928.93
IUPAC Name:2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-((S)-2-((S)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)propanamido)propanamido)benzyl)phenyl)-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl dihydrogen phosphate
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Product Information
| Product Name | Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal |
|---|---|
| IUPAC Name | 2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-((S)-2-((S)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)propanamido)propanamido)benzyl)phenyl)-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl dihydrogen phosphate |
| Molecular Formula | C47H53N4O14P |
| Molecular Weight | 928.93 |
| SMILES | O=P(O)(O)OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@@]5(C(CC4)=CC(C=C5)=O)C)([H])[C@H](C3)O)([H])C[C@@]1([H])O[C@@H](C6=CC=C(C=C6)CC7=CC(NC([C@H](C)NC([C@H](C)NC(CN8C(C=CC8=O)=O)=O)=O)=O)=CC=C7)O2)C)=O |
| InChI Key | PCHXBKCIRQOZOP-OWXFDGHLSA-N |
| Synonym | Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal |
| CAS No. | 2345732-89-8 |
Synthetic Route by SureRoute
2. ACTRNB708 Molecular Building Block Synthetic Route
Glucocorticoid receptor agonist-1 Ala-Ala-Mal
(S)-4-(2-aminoacetamido)-5-((3-(4-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-7-hydroxy-6a,8a-dimethyl-4-oxo-8b-(2-(phosphonooxy)acetyl)-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-10-yl)benzyl)phenyl)amino)-5-oxopentanoic acid
(S)-4-(2-(2-Bromoacetamido)acetamido)-5-((3-(4-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-7-hydroxy-6a,8a-dimethyl-4-oxo-8b-(2-(phosphonooxy)acetyl)-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-10-yl)benzyl)phenyl)amino)-5-oxopentanoic acid