BIIE-0246 dihydrochloride

Catalog No. :
ACITOK734
CAS No. :
246146-31-6
Molecular Formula :
C49H59Cl2N11O6
Molecular Weight :
968.99

IUPAC Name:(2S)-5-((diaminomethylene)amino)-N-(2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)-2-(2-(1-(2-oxo-2-(4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)piperazin-1-yl)ethyl)cyclopentyl)acetamido)pentanamide dihydrochloride

BIIE-0246 dihydrochloride structure diagram
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Product Information

Product NameBIIE-0246 dihydrochloride
IUPAC Name(2S)-5-((diaminomethylene)amino)-N-(2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)-2-(2-(1-(2-oxo-2-(4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)piperazin-1-yl)ethyl)cyclopentyl)acetamido)pentanamide dihydrochloride
Molecular FormulaC49H59Cl2N11O6
Molecular Weight968.99
SMILESO=C(NCCN1C(N(C2=CC=CC=C2)N(C3=CC=CC=C3)C1=O)=O)[C@@H](NC(CC4(CC(N5CCN(C(C6=CC=CC=C67)C8=CC=CC=C8NC7=O)CC5)=O)CCCC4)=O)CCCNC(N)=N.[H]Cl.[H]Cl
InChI KeyUESZCTPNTRZXHQ-SICTUBFJSA-N
SynonymCyclopentaneacetamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]-, hydrochloride (1:2);BIIE-0246 HCl
CAS No.246146-31-6

Synthetic Route by SureRoute

1. ACITOK734 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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  5. ACITOK734 route product structure diagram
    ACITOK734246146-31-6
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2. ACITOK734 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. ACITOK734 route product structure diagram
    ACITOK734246146-31-6
Inquiry

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