KRAS inhibitor-13

Catalog No. :
ACMNYW402
CAS No. :
2230873-96-6
Molecular Formula :
C25H19ClFN3O2S
Molecular Weight :
479.96

IUPAC Name:1-((1S,5S)-6-(5-chloro-7-fluoro-6-(3-hydroxynaphthalen-1-yl)benzo[c]isothiazol-3-yl)-2,6-diazabicyclo[3.2.0]heptan-2-yl)prop-2-en-1-one

KRAS inhibitor-13 structure diagram
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Product Information

Product NameKRAS inhibitor-13
IUPAC Name1-((1S,5S)-6-(5-chloro-7-fluoro-6-(3-hydroxynaphthalen-1-yl)benzo[c]isothiazol-3-yl)-2,6-diazabicyclo[3.2.0]heptan-2-yl)prop-2-en-1-one
Molecular FormulaC25H19ClFN3O2S
Molecular Weight479.96
SMILESC=CC(N1[C@@]2([H])CN(C3=C(C=C(Cl)C(C4=C5C=CC=CC5=CC(O)=C4)=C6F)C6=NS3)[C@@]2([H])CC1)=O
InChI KeyURKYROWBWZUPML-PMACEKPBSA-N
Synonym2-Propen-1-one, 1-[(1S,5S)-6-[5-chloro-7-fluoro-6-(3-hydroxy-1-naphthalenyl)-2,1-benzisothiazol-3-yl]-2,6-diazabicyclo[3.2.0]hept-2-yl]-;KRAS inhibitor-13
CAS No.2230873-96-6

Synthetic Route by SureRoute

1. ACMNYW402 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. ACMNYW402 route product structure diagram
    ACMNYW4022230873-96-6
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2. ACMNYW402 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. ACMNYW402 route product structure diagram
    ACMNYW4022230873-96-6
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