Account BIM-23190
- Catalog No. :
- ACPHLF084
- CAS No. :
- 182153-96-4
- Molecular Formula :
- C57H79N13O12S2
- Molecular Weight :
- 1202.47
IUPAC Name:(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-7-ethyl-16-(4-hydroxybenzyl)-19-((R)-2-(2-(4-(2-hydroxyethyl)piperazin-1-yl)acetamido)-3-phenylpropanamido)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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Product Information
| Product Name | BIM-23190 |
|---|---|
| IUPAC Name | (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-7-ethyl-16-(4-hydroxybenzyl)-19-((R)-2-(2-(4-(2-hydroxyethyl)piperazin-1-yl)acetamido)-3-phenylpropanamido)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Molecular Formula | C57H79N13O12S2 |
| Molecular Weight | 1202.47 |
| SMILES | O=C([C@@H](NC([C@H](CC)NC([C@H](CCCCN)NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)N4)=O)=O)=O)=O)CSSC[C@H](NC([C@H](NC(CN5CCN(CCO)CC5)=O)CC6=CC=CC=C6)=O)C4=O)N[C@@H]([C@H](O)C)C(N)=O |
| InChI Key | YIGPOHXLINPVGT-CVGVOFIUSA-N |
| Synonym | L-Threoninamide, N-[2-[4-(2-hydroxyethyl)-1-piperazinyl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-(2S)-2-aminobutanoyl-L-cysteinyl-, cyclic (2→7)-disulfide;BDBM85051;BIM-23190 |
| CAS No. | 182153-96-4 |
Synthetic Route by SureRoute
2. ACPHLF084 Molecular Building Block Synthetic Route
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid compound with acetic acid (1:x)
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
TT-232 TFA（147159-51-1 free base）