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Exatecan Intermediate 6

CAT: 0013-GTR19237709-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237709-02Size:10 mg
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Description
Exatecan Intermediate 6 is a key synthetic precursor for the potent topoisomerase I inhibitor Exatecan (DX-8951; IC50 = 2.2 μM) . This compound is used in cancer research, facilitating in vitro cytotoxicity studies and the development of Antibody-Drug Conjugates (ADCs) for targeted therapy.
CAS Number
143655-58-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (NC1=CC (F) =C (C2=C1C (=O) CCC2) C) C
Molecular Formula
C13H14FNO2
Molecular Weight
235.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-Fluoro-5,6,7,8-tetrahydro-4-methyl-8-oxo-1-naphthalenyl)acetamide
CAS Number143655-58-7
PubChem CID22449535
IUPAC NameN-(3-fluoro-4-methyl-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide
Molecular FormulaC13H14FNO2
Molecular Weight235.25
XLogP2.2
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity331
SMILES
CC1=C(C=C(C2=C1CCCC2=O)NC(=O)C)F
InChI
InChI=1S/C13H14FNO2/c1-7-9-4-3-5-12(17)13(9)11(6-10(7)14)15-8(2)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKey
PSNRFAKPOCIEDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Fluoro-5,6,7,8-tetrahydro-4-methyl-8-oxo-1-naphthalenyl)acetamide
CAS: 143655-58-7
CID: 22449535
Formula: C13H14FNO2
MW: 235.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.25
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass235.10085685
Monoisotopic Mass235.10085685
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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