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AZD8542

CAT: 0804-HY-120499-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120499-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD8542 is an antagonist of Smoothened (SMO), playing an important role in oncology. AZD8542 is an Hedgehog (Hh) pathway antagonist on tumor progression with an emphasis on the role of the stroma compartment[1][2].
CAS Number
1126366-36-6
UNSPSC
12352005
Hazard Statement
H302, H360
Target
Hedgehog; Smo
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/azd8542.html
Purity
99.49
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC=C(C=C1)OCC2=NC=CC=C2)NC3=CC(C4=CN(C)C=N4)=C(C)C=C3C
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Precautions
H302, H360
References & Citations
[1]Rosa F. Hwang, INHIBITION OF THE HEDGEHOG PATHWAY TARGETS THE TUMOR-ASSOCIATED STROMA IN PANCREATIC CANCER. Mol Cancer Res. 2012 Sep; 10 (9) : 1147–1157.|[2]Dakin Leslie, et al. Preparation of amide compounds containing heterocycle moiety as hedgehog pathway inhibitors. World Intellectual Property Organization, WO2009027746 A1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Azd8542

inhibits hedgehog signalling; structure in first source

CAS Number1126366-36-6
PubChem CID53344810
IUPAC NameN-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP3.7
Topological Polar Surface Area69
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity580
SMILES
CC1=CC(=C(C=C1C2=CN(C=N2)C)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)C
InChI
InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)
InChIKey
SMQVBAGSZVHCJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd8542
CAS: 1126366-36-6
CID: 53344810
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area69 Ų
Heavy Atom Count31
Formal Charge0
Complexity580
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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