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Porcn-IN-2

CAT: 0013-GTR19230242-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230242-01Size:50 mg
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Description
Porcn-IN-2 (Example 107) is a highly potent Wnt signaling inhibitor with an IC50 of 0.05 nM. It is utilized in cancer research for studying various malignancies such as sarcoma, melanoma, and leukemia in both in vitro and in vivo experimental models.
CAS Number
1900754-65-5
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
CC1=C (N=CN1CC (NC2=CC=C (C=N2) C3=CC=C (C#N) C=C3) =O) C=4C=C (C (F) (F) F) N=CC4
Molecular Formula
C24H17F3N6O
Molecular Weight
462.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Porcn-IN-2
CAS Number1900754-65-5
PubChem CID121280458
IUPAC NameN-[5-(4-cyanophenyl)-2-pyridinyl]-2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
Molecular FormulaC24H17F3N6O
Molecular Weight462.4
XLogP3.5
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity747
SMILES
CC1=C(N=CN1CC(=O)NC2=NC=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC(=NC=C4)C(F)(F)F
InChI
InChI=1S/C24H17F3N6O/c1-15-23(18-8-9-29-20(10-18)24(25,26)27)31-14-33(15)13-22(34)32-21-7-6-19(12-30-21)17-4-2-16(11-28)3-5-17/h2-10,12,14H,13H2,1H3,(H,30,32,34)
InChIKey
IZSWMHRTYFBMDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Porcn-IN-2
CAS: 1900754-65-5
CID: 121280458
Formula: C24H17F3N6O
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass462.14159367
Monoisotopic Mass462.14159367
Topological Polar Surface Area96.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity747
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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