CYP3A4 enzyme-IN-1

Catalog No. :
ACGJJD731
CAS No. :
2531281-25-9
Molecular Formula :
C41H58N8O7
Molecular Weight :
774.96

IUPAC Name:(3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-(4-(2-(4-((4-(4-nitrophenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)acetyl)piperazin-1-yl)acetate

CYP3A4 enzyme-IN-1 structure diagram
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Product Information

Product NameCYP3A4 enzyme-IN-1
IUPAC Name(3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-(4-(2-(4-((4-(4-nitrophenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)acetyl)piperazin-1-yl)acetate
Molecular FormulaC41H58N8O7
Molecular Weight774.96
SMILESC=C[C@]1(C)C[C@@H](OC(=O)CN2CCN(C(=O)CN3C=C(CN4CCN(C5=CC=C([N+](=O)[O-])C=C5)CC4)N=N3)CC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
InChI KeyJRBSUMLQFLOBAJ-UBPXHQLISA-N
Synonym(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl 4-[2-[4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1H-1,2,3-triazol-1-yl]acetyl]-1-piperazineacetate
CAS No.2531281-25-9

Synthetic Route by SureRoute

1. ACGJJD731 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACGJJD731 route product structure diagram
    ACGJJD7312531281-25-9
Inquiry

2. ACGJJD731 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACGJJD731 route product structure diagram
    ACGJJD7312531281-25-9
Inquiry

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