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Exatecan Intermediate 4

CAT: 0804-HY-W021377B-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W021377B-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Exatecan Intermediate 4 (Compound 14f) 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
2436720-50-0
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-4.html
Purity
99.31
Solubility
10 mM in DMSO
Smiles
CC1=C2CCC(C(C2=C(C=C1F)N)=O)N.Cl
Molecular Formula
C11H14ClFN2O
Molecular Weight
244.70
Precautions
H302, H315, H319, H335
References & Citations
[1]Ao Li, et al. Anti-tumor compound and use thereof. China, WO2024109949A1. 2024-05-30.
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

Exatecan Intermediate 4
CAS Number2436720-50-0
PubChem CID138911490
IUPAC Name2,8-diamino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
Molecular FormulaC11H14ClFN2O
Molecular Weight244.69
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity271
SMILES
CC1=C(C=C(C2=C1CCC(C2=O)N)N)F.Cl
InChI
InChI=1S/C11H13FN2O.ClH/c1-5-6-2-3-8(13)11(15)10(6)9(14)4-7(5)12;/h4,8H,2-3,13-14H2,1H3;1H
InChIKey
VCANVVSBSCMCON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Exatecan Intermediate 4
CAS: 2436720-50-0
CID: 138911490
Formula: C11H14ClFN2O
MW: 244.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.69
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass244.0778689
Monoisotopic Mass244.0778689
Topological Polar Surface Area69.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity271
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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