Ceralasertib formate

Catalog No. :
ACITOE301
CAS No. :
1352280-98-8
Molecular Formula :
C21H26N6O4S
Molecular Weight :
458.54

IUPAC Name:(R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone formate

Ceralasertib formate structure diagram
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Product Information

Product NameCeralasertib formate
IUPAC Name(R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanone formate
Molecular FormulaC21H26N6O4S
Molecular Weight458.54
SMILESO=[S@@](C1(C2=NC(C3=C4C(NC=C4)=NC=C3)=NC(N5[C@H](C)COCC5)=C2)CC1)(C)=N.O=CO
InChI KeyJOKLXYXIZOXQHY-FQAMYIAXSA-N
SynonymFormic acid, compd. with 4-[4-[1-[[S(R)]-S-methylsulfonimidoyl]cyclopropyl]-6-[(3R)-3-methyl-4-morpholinyl]-2-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridine (1:);Ceralasertib formate
CAS No.1352280-98-8

Synthetic Route by SureRoute

1. ACITOE301 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACPNHA029 route compound structure diagram
    ACPNHA0291246761-84-1 In Stock
  4. Then
  5. ACITOE301 route product structure diagram
    ACITOE3011352280-98-8
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2. ACITOE301 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACFZNI637 route compound structure diagram
    ACFZNI637942919-26-8 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACITOE301 route product structure diagram
    ACITOE3011352280-98-8
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