N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)

Catalog No. :
ACHRPE213
CAS No. :
451493-31-5
Molecular Formula :
C41H44ClFN6O7S2
Molecular Weight :
851.42

IUPAC Name:N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)

N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate) structure diagram
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Product Information

Product NameN-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)
IUPAC NameN-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)
Molecular FormulaC41H44ClFN6O7S2
Molecular Weight851.42
SMILESO=S(C1=CC=C(C)C=C1)(O)=O.C=CC(NC2=CC3=C(NC4=CC=C(F)C(Cl)=C4)N=CN=C3C=C2C#CC(N5CCN(C)CC5)(C)C)=O.O=S(C6=CC=C(C)C=C6)(O)=O
InChI KeyGTWJVFFZCKODEV-UHFFFAOYSA-N
SynonymMP-412;MP412;451492-95-8 (AV-412 FREE BASE);N-[4-(3-Chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide tosylate;MP-412;AV412;AV 412;MP412;MP 412;N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide,4-methylbenzenesulfonic acid;2-PropenaMide, N-[4-[(3-chloro-4-fluorophenyl)aMino]-7-[3-Methyl-3-(4-Methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-Methylbenzenesulfonate (1:2);AV-412 / MP-412;N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butynyl]-6-quinazolinyl]-2-propenamide bis(4-methylbenzenesulfonate)
CAS No.451493-31-5
PubChem CID11700696

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P305+P351+P338

Synthetic Route by SureRoute

1. ACHRPE213 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACQRUC102 route compound structure diagram
    ACQRUC10213270-28-5 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACHRPE213 route product structure diagram
    ACHRPE213451493-31-5 In Stock
Inquiry

2. ACHRPE213 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACQMIW231 route compound structure diagram
    ACQMIW231169194-80-3 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACHRPE213 route product structure diagram
    ACHRPE213451493-31-5 In Stock
Inquiry

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