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AP24600

CAT: 0804-HY-W059917-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W059917-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AP24600 is an inactive metabolite of Ponatinib[1].
CAS Number
1300690-48-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ap24600.html
Purity
99.94
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1=C(C=C(C=C1)C(O)=O)C#CC1=CN=C2C=CC=NN12
Molecular Formula
C16H11N3O2
Molecular Weight
277.28
Precautions
H302, H315, H319, H335
References & Citations
[1]Narayana I Narasimhan, et al. Evaluation of the effect of multiple doses of lansoprazole on the pharmacokinetics and safety of ponatinib in healthy subjects. Clin Drug Investig. 2014 Oct;34 (10) :723-9.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AP-24600
CAS Number1300690-48-5
PubChem CID58945624
IUPAC Name3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
Molecular FormulaC16H11N3O2
Molecular Weight277.28
XLogP2.3
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
CC1=C(C=C(C=C1)C(=O)O)C#CC2=CN=C3N2N=CC=C3
InChI
InChI=1S/C16H11N3O2/c1-11-4-5-13(16(20)21)9-12(11)6-7-14-10-17-15-3-2-8-18-19(14)15/h2-5,8-10H,1H3,(H,20,21)
InChIKey
SCMPXDBRMCTALZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AP-24600
CAS: 1300690-48-5
CID: 58945624
Formula: C16H11N3O2
MW: 277.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.28
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass277.085126602
Monoisotopic Mass277.085126602
Topological Polar Surface Area67.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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

Alternative Products

CatalogName
OR1007531-01AP24600

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