Account BTL-105
- Catalog No. :
- ACDUCO093
- CAS No. :
- 945007-11-4
- Molecular Formula :
- C46H61N11O5S
- Molecular Weight :
- 880.13
IUPAC Name:6-(((3-(bis(pyridin-2-ylmethyl)amino)-2-hydroxypropyl)(pyridin-2-ylmethyl)amino)methyl)-N-(2-(6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)ethyl)nicotinamide
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Product Information
| Product Name | BTL-105 |
|---|---|
| IUPAC Name | 6-(((3-(bis(pyridin-2-ylmethyl)amino)-2-hydroxypropyl)(pyridin-2-ylmethyl)amino)methyl)-N-(2-(6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)ethyl)nicotinamide |
| Molecular Formula | C46H61N11O5S |
| Molecular Weight | 880.13 |
| SMILES | O=C(NCCCCCC(NCCNC(C1=CC=C(CN(CC(O)CN(CC2=NC=CC=C2)CC3=NC=CC=C3)CC4=NC=CC=C4)N=C1)=O)=O)CCCC[C@@H]5SC[C@]([C@]5([H])N6)([H])NC6=O |
| InChI Key | PNPDCNDQKOQNLS-GDCWZEBOSA-N |
| Synonym | BTL-105;1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[[2-[[[6-[[[3-[bis(2-pyridinylmethyl)amino]-2-hydroxypropyl](2-pyridinylmethyl)amino]methyl]-3-pyridinyl]carbonyl]amino]ethyl]amino]-6-oxohexyl]hexahydro-2-oxo-, (3aS,4S,6aR)- |
| CAS No. | 945007-11-4 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACDUCO093 Molecular Building Block Synthetic Route
BTL-104
6-((4-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)piperazin-1-yl)methyl)picolinaldehyde
N-(2-((3-(4-((6-formylpyridin-2-yl)methyl)piperazin-1-yl)-3-oxopropyl)disulfanyl)ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide