Chemical Compound

TGF|AR-IN-1

CAS Registry Number 2857845-36-2
TGF|AR-IN-1 chemical structure
Primary Record

TGF|AR-IN-1

In stock
5,864 g
Purity
99.4 %
CAS
2857845-36-2

Compound Identifiers & Properties

CAS
2857845-36-2
PubChem CID
162366974
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NC1=CC=C(C=C1)COC(=O)NCOCCN2C=NC(=C2C3=NN4C(=NC=C4C#N)C=C3)C5=CC(=C(C=C5)F)Cl)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
Canonical SMILES
CC(C)C[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)NCOCCn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccc3ncc(C#N)n3n2)cc1

Names & Synonyms

  • TGF|AR-IN-1
  • orb1983162
  • CHEMBL5282616
  • GTPL11802
  • compound 10 [PMID: 34704759]
  • EX-A16621
  • 2857845-36-2
  • 18-[[(1S)-4-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[4-[2-[4-(3-chloro-4-fluorophenyl)-5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethoxymethylcarbamoyloxymethyl]anilino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid