Wnt-C59
- Iupac Name：2-[4-(2-methylpyridin-4-yl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide
- CAS No.: 1243243-89-1
- Molecular Weight：379.45374
- Modify Date.: 2022-11-22 20:16
- Introduction:
Wnt-C59 (C59) is a highly potent and oral porcupine (PORCN) inhibitor with an IC50 of 74 pM.
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1. Names and Identifiers
- 1.1 Name
- Wnt-C59
- 1.2 Synonyms
2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetaMide 4-(2-Methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]benzeneacetamide 4-(2-Methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]benzeneacetamide Wnt-c59 C59 WNT C59 WNT-C59 (C59)
- 1.3 CAS No.
- 1243243-89-1
- 1.4 CID
- 57519544
- 1.5 Molecular Formula
- C25H21N3O (isomer)
- 1.6 Inchi
- InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
- 1.7 InChkey
- KHZOJCQBHJUJFY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4
- 1.9 Isomers Smiles
- CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4
2. Properties
- 2.1 Density
- 1.198±0.06 g/cm3(Predicted)
- 2.1 Boiling point
- 628.3±55.0 °C(Predicted)
- 2.1 Refractive index
- 1.648
- 2.1 Flash Point
- 333.8±31.5 °C
- 2.1 PSA
- 54.88000
- 2.1 logP
- 5.37320
- 2.1 Solubility
- Insuluble (7.6E-3 g/L) (25 oC),
- 2.2 pKa
- 13.78±0.70(Predicted)
- 2.3 StorageTemp
- +2C to +8C
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Other Information
- 4.0 Mesh Entry Terms
- 2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
5. Computational chemical data
- Molecular Weight: 379.45374g/mol
- Molecular Formula: C25H21N3O
- Compound Is Canonicalized: True
- XLogP3-AA: 4.2
- Exact Mass: 379.168462302
- Monoisotopic Mass: 379.168462302
- Complexity: 508
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 54.9
- Heavy Atom Count: 29
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHgAQAAAADAjBngQ+wJLIEACoAzV3VACCgCAxAiAI2CE4ZJgIIPLAlZGEIAhglADIyAcYiMCOyAAAAAAAAACQAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
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- Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
- Tel:86-21-61723543
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Wnt-C59
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/26
Inquire
-
Wnt-C59
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/02/24
Inquire
7. Realated Product Infomation
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