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Exatecan Intermediate 2 (hydrochloride)

CAT: 0804-HY-W021377A-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W021377A-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Exatecan Intermediate 2 hydrochloride (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
2437603-23-9
UNSPSC
12352005
Hazard Statement
H302, 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-hydrochloride.html
Concentration
10mM
Purity
99.94
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
CC(NC(CCC1=C2C(N)=CC(F)=C1C)C2=O)=O.Cl
Molecular Formula
C13H16ClFN2O2
Molecular Weight
286.73
Precautions
H302, 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, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Camptothecins

Chemical Information

Exatecan Intermediate 2 (hydrochloride)
CAS Number2437603-23-9
PubChem CID138911489
IUPAC NameN-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide;hydrochloride
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
CC1=C(C=C(C2=C1CCC(C2=O)NC(=O)C)N)F.Cl
InChI
InChI=1S/C13H15FN2O2.ClH/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);1H
InChIKey
WELYDNOIIHGYEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Exatecan Intermediate 2 (hydrochloride)
CAS: 2437603-23-9
CID: 138911489
Formula: C13H16ClFN2O2
MW: 286.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.73
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass286.0884336
Monoisotopic Mass286.0884336
Topological Polar Surface Area72.2 Ų
Heavy Atom Count19
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 Count2
Compound Is CanonicalizedYes

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