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AW01178

CAT: 0013-GTR19236296-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236296-02Size:50 mg
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Description
AW01178 is a histone deacetylase (HDAC) inhibitor that upregulates E-cadherin expression, counteracting epithelial-mesenchymal transition (EMT) in breast cancer cell lines. This mechanism supports its research application in studying metastasis and potential therapeutic strategies in oncology, both in vitro and in vivo.
CAS Number
651293-70-8
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
O=C (NC1CCN (C2=NC=CC (=N2) C (F) (F) F) CC1) CC=3C=CC=C (OC) C3
Molecular Formula
C19H21F3N4O2
Molecular Weight
394.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CAS Number651293-70-8
PubChem CID2796256
IUPAC Name2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
Molecular FormulaC19H21F3N4O2
Molecular Weight394.4
XLogP3
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity512
SMILES
COC1=CC=CC(=C1)CC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F
InChI
InChI=1S/C19H21F3N4O2/c1-28-15-4-2-3-13(11-15)12-17(27)24-14-6-9-26(10-7-14)18-23-8-5-16(25-18)19(20,21)22/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,27)
InChIKey
YDXSMURKJCFHQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CAS: 651293-70-8
CID: 2796256
Formula: C19H21F3N4O2
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass394.16166041
Monoisotopic Mass394.16166041
Topological Polar Surface Area67.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity512
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
HY-159112AW01178

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