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Exatecan Intermediate 2

CAT: 0804-HY-W021377-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W021377-02Size:10 mM - 1 mL
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Description
Exatecan Intermediate 2 (Compound B) is an intermediate of Exatecan (DX-8951, HY-13631). Exatecan is an anticancer agent belonging to the class of camptothecin analogs. Exatecan interferes with the proliferation and division of tumor cells by interacting with DNA, thereby inhibiting tumor growth. Exatecan is primarily used for research of a variety of cancers including ovarian, lung and breast cancers[1].
CAS Number
182182-31-6
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
ADC Payload; Drug Intermediate
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/exatecan-intermediate-2.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic) |DMSO : 55 mg/mL (ultrasonic)
Smiles
CC(NC(CCC1=C2C(N)=CC(F)=C1C)C2=O)=O
Molecular Formula
C13H15FN2O2
Molecular Weight
250.27
Precautions
H315, H319, H335
References & Citations
[1]Lv Xianyu, et al. Preparation of camptothecin derivative intermediate. China, CN115197088. 2022-10-18.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Camptothecins

Chemical Information

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CAS Number182182-31-6
PubChem CID10220585
IUPAC NameN-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
Molecular FormulaC13H15FN2O2
Molecular Weight250.27
XLogP1.8
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity361
SMILES
CC1=C(C=C(C2=C1CCC(C2=O)NC(=O)C)N)F
InChI
InChI=1S/C13H15FN2O2/c1-6-8-3-4-11(16-7(2)17)13(18)12(8)10(15)5-9(6)14/h5,11H,3-4,15H2,1-2H3,(H,16,17)
InChIKey
SEFPQWAVZCZXTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CAS: 182182-31-6
CID: 10220585
Formula: C13H15FN2O2
MW: 250.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.27
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass250.11175589
Monoisotopic Mass250.11175589
Topological Polar Surface Area72.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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