Account α5β1 integrin agonist-1
- Catalog No. :
- ACZHJC063
- CAS No. :
- 2756557-83-0
- Molecular Formula :
- C24H26FN5O9
- Molecular Weight :
- 547.50
IUPAC Name:2-((2R,3S)-3-((R)-1-((3-(2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanoyl)oxy)ethyl)-4-oxo-1-(o-tolylcarbamoyl)azetidin-2-yl)acetic acid
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Product Information
| Product Name | α5β1 integrin agonist-1 |
|---|---|
| IUPAC Name | 2-((2R,3S)-3-((R)-1-((3-(2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanoyl)oxy)ethyl)-4-oxo-1-(o-tolylcarbamoyl)azetidin-2-yl)acetic acid |
| Molecular Formula | C24H26FN5O9 |
| Molecular Weight | 547.50 |
| SMILES | O=C(O)C[C@H]([C@H]1[C@H](OC(CCNC(CN(C(N2)=O)C=C(F)C2=O)=O)=O)C)N(C(NC3=CC=CC=C3C)=O)C1=O |
| InChI Key | VYBDMSHMVUFIRG-OWDMVUQNSA-N |
| Synonym | β-Alanine, N-[2-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]-, (1R)-1-[(2R,3S)-2-(carboxymethyl)-1-[[(2-methylphenyl)amino]carbonyl]-4-oxo-3-azetidinyl]ethyl ester |
| CAS No. | 2756557-83-0 |
Synthetic Route by SureRoute
2. ACZHJC063 Molecular Building Block Synthetic Route
ACDNEY033
(2S,3S,4S,5R,6S)-6-(2-(2-(2-((3-(((2S,3R,4R,5S,6R)-2-(3-((1-(3-((2-((5-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)-2-(((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)phenyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-2,5-dioxopyrrolidin-3-yl)thio)propoxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)acetamido)acetamido)-4-(((((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamoyl)oxy)methyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
