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Exatecan Intermediate 6

CAT: 0804-HY-44369-07Size: 50 gDry Ice: NoHazardous: No
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CAT#:0804-HY-44369-07Size:50 g
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Description
Exatecan Intermediate 6 is the intermediate of Exatecan And Exatecan (DX-8951) is a DNA topoisomerase I inhibitor with an IC50 value of 2.2 μM (0.975 μg/mL) that can be used in cancer research. Exatecan Intermediate 6 can be used to synthesize Antibody-Drug Conjugates (ADCs).
CAS Number
143655-58-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ADC Payload; Topoisomerase
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/exatecan-intermediate-6.html
Purity
99.95
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
CC(NC(C=C(F)C(C)=C1CCC2)=C1C2=O)=O
Molecular Formula
C13H14FNO2
Molecular Weight
235.26
Precautions
H302, H315, H319, H335
References & Citations
[1]Zhang, et al. Intermediate for synthesizing camptothecin derivatives using exatecan mesylate and its preparation method and application. China, CN111470998 A. 2020-07-31.|[2]Mitsui I, et al. A new water-soluble camptothecin derivative, DX-8951f, exhibits potent antitumor activity against human tumors in vitro and in vivo. Jpn J Cancer Res. 1995 Aug;86 (8) :776-82.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Camptothecins

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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