PROTAC Bcl-xL degrader-2

Catalog No. :
ACQSZO528
CAS No. :
2920415-08-1
Molecular Formula :
C68H80N8O14S3
Molecular Weight :
1329.63

IUPAC Name:2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-((S)-24-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-25,25-dimethyl-22-oxo-4,7,10,13,16,19-hexaoxa-23-azahexacos-1-yn-1-yl)phenoxy)propyl)thiazole-4-carboxylic acid

PROTAC Bcl-xL degrader-2 structure diagram
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Product Information

Product NamePROTAC Bcl-xL degrader-2
IUPAC Name2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-((S)-24-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-25,25-dimethyl-22-oxo-4,7,10,13,16,19-hexaoxa-23-azahexacos-1-yn-1-yl)phenoxy)propyl)thiazole-4-carboxylic acid
Molecular FormulaC68H80N8O14S3
Molecular Weight1329.63
SMILESO=C(C1=C(CCCOC2=CC=C(C#CCOCCOCCOCCOCCOCCOCCC(N[C@H](C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)C(C)(C)C)=O)C=C2)SC(N6CC7=C(C=CC=C7C(NC8=NC9=CC=CC=C9S8)=O)CC6)=N1)O
InChI KeyLOJJAKUNUJJOKC-MXEISZGISA-N
Synonym2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-{3-[4-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15,18-hexaoxahenicos-20-yn-21-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid
CAS No.2920415-08-1

Synthetic Route by SureRoute

1. ACQSZO528 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQSZO528 route product structure diagram
    ACQSZO5282920415-08-1
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2. ACQSZO528 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQSZO528 route product structure diagram
    ACQSZO5282920415-08-1
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