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(2S,4R)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

Catalog No. :
ACVJRM674
CAS No. :
2409538-70-9
Molecular Formula :
C50H62ClN9O8S2
Molecular Weight :
1016.69

IUPAC Name:(2S,4R)-1-((S)-2-(tert-butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide structure diagram
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Product Information

Product Name(2S,4R)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
IUPAC Name(2S,4R)-1-((S)-2-(tert-butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
Molecular FormulaC50H62ClN9O8S2
Molecular Weight1016.69
SMILESCC=1C2=C(N3C([C@H](CC(NCCOCCOCCOCC(N[C@H](C(=O)N4[C@H](C(N[C@@H](C)C5=CC=C(C=C5)C6=C(C)N=CS6)=O)C[C@@H](O)C4)C(C)(C)C)=O)=O)N=C2C7=CC=C(Cl)C=C7)=NN=C3C)SC1C
InChI KeySLPWRCRRHVRNRM-BEGQQDOQSA-N
SynonymPROTAC BRD4 Degrader-5;(2S,4R)-1-[(2S)-2-(2-{2-[2-(2-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,?]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}ethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CAS No.2409538-70-9
PubChem CID146673078

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACVJRM674 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACHFZT537 route compound structure diagram
    ACHFZT5371948273-03-7 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACVJRM674 route product structure diagram
    ACVJRM6742409538-70-9 In Stock
Inquiry

2. ACVJRM674 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACQKWF145 route compound structure diagram
    ACQKWF1452409538-69-6 In Stock
  2. Plus
  3. ACJNGM708 route compound structure diagram
    ACJNGM708202592-23-2 In Stock
  4. Then
  5. ACVJRM674 route product structure diagram
    ACVJRM6742409538-70-9 In Stock
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