4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide

Catalog No. :
ACVLWN298
CAS No. :
2093386-22-0
Molecular Formula :
C44H45N11O9
Molecular Weight :
871.91

IUPAC Name:4-((3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide

4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide structure diagram
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Product Information

Product Name4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
IUPAC Name4-((3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)butyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
MDL No.MFCD31692340
Molecular FormulaC44H45N11O9
Molecular Weight871.91
SMILESO=C(C1=NC(NC2=CC(C3CC3)=NN2CC)=C4C(NC5=C4C=C(OC)C(C6=C(C)ON=C6C)=C5)=N1)NCCCCNC(COC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O
InChI KeyTXLUZGFDBDQACL-UHFFFAOYSA-N
SynonymPROTAC 11;PROTAC BET Degrader-1;9H-Pyrimido[4,5-b]indole-2-carboxamide, 4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-4-isoxazolyl)-N-[4-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-6-methoxy-;N-[4-({4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl}formamido)butyl]-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide
CAS No.2093386-22-0

Safety Data

Pictogram
Health hazard
Signal Word
Warning
Hazard Statement(s)
H361-H373
Precautionary Statement(s)
P201-P202-P260-P280-P308+P313-P405-P501

Synthetic Route by SureRoute

1. ACVLWN298 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACVLWN298 route product structure diagram
    ACVLWN2982093386-22-0
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2. ACVLWN298 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. ACVLWN298 route product structure diagram
    ACVLWN2982093386-22-0
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