Anticancer agent 174

Catalog No. :
ACSDOW372
CAS No. :
2987820-29-9
Molecular Formula :
C63H75BrN4O3S
Molecular Weight :
1048.29

IUPAC Name:4-(7-(4-(diphenylamino)phenyl)benzo[c][1,2,5]thiadiazol-4-yl)-1-(4-(((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carbonyl)oxy)butyl)pyridin-1-ium bromide

Anticancer agent 174 structure diagram
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Product Information

Product NameAnticancer agent 174
IUPAC Name4-(7-(4-(diphenylamino)phenyl)benzo[c][1,2,5]thiadiazol-4-yl)-1-(4-(((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carbonyl)oxy)butyl)pyridin-1-ium bromide
Molecular FormulaC63H75BrN4O3S
Molecular Weight1048.29
SMILESC=C(C)[C@@H]1CC[C@]2(C(=O)OCCCC[N+]3=CC=C(C4=CC=C(C5=CC=C(N(C6=CC=CC=C6)C6=CC=CC=C6)C=C5)C5=NSN=C45)C=C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.[Br-]
InChI KeyQXAHTJOJXNTJOC-LFYQBKTRSA-M
SynonymAnticancer agent 174;Lup-20(29)-en-28-oic acid, 3-hydroxy-, 4-[4-[7-[4-(diphenylamino)phenyl]-2,1,3-benzothiadiazol-4-yl]pyridinio]butyl ester, bromide (1:1), (3β)-
CAS No.2987820-29-9

Synthetic Route by SureRoute

1. ACSDOW372 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACNHZY473 route compound structure diagram
    ACNHZY473472-15-1 In Stock
  4. Then
  5. ACSDOW372 route product structure diagram
    ACSDOW3722987820-29-9
Inquiry

2. ACSDOW372 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACNHZY473 route compound structure diagram
    ACNHZY473472-15-1 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACSDOW372 route product structure diagram
    ACSDOW3722987820-29-9
Inquiry

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