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MYF-03-176

CAT: 0804-HY-147136-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147136-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MYF-03-176 is an orally active inhibitor of TEAD, and suppresses TEAD transcriptional activity with an IC50 of 11 nM. The IC50 values of MYF-03-176 for TEAD1, TEAD3, and TEAD4 are 47, 32, and 71 nM, respectively. MYF-03-176 inhibits hippo signaling defective malignant pleural mesothelioma (MPM) cells. MYF-03-176 shows strong antitumor efficacy in MPM mouse xenograft model[1][2][3].
CAS Number
2857937-59-6
UNSPSC
12352005
Target
YAP
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/myf-03-176.html
Purity
99.72
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC(F)(F)C1=CC=C(CO[C@@H]2CN(C(C(F)=C)=O)C[C@H]2NC3=NC=CC=N3)C=C1
Molecular Formula
C19H18F4N4O2
Molecular Weight
410.37
References & Citations
[1]Mengyang Fan, et al. Covalent Disruptor of YAP-TEAD Association Suppresses Defective Hippo Signaling. BioRxiv.|[2]Lu W, et al. Structure-Based Design of Y-Shaped Covalent TEAD Inhibitors. J Med Chem. 2023 Apr 13;66 (7) :4617-4632.|[3]Yang W, et al. YAP/TAZ mediates resistance to KRAS inhibitors through inhibiting proapoptosis and activating the SLC7A5/mTOR axis. JCI Insight. 2024 Dec 20;9 (24) :e178535.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-fluoro-1-[(3R,4R)-3-(pyrimidin-2-ylamino)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CAS Number2857937-59-6
PubChem CID164517031
IUPAC Name2-fluoro-1-[(3R,4R)-3-(pyrimidin-2-ylamino)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
Molecular FormulaC19H18F4N4O2
Molecular Weight410.4
XLogP3.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity575
SMILES
C=C(C(=O)N1C[C@H]([C@@H](C1)OCC2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC=N3)F
InChI
InChI=1S/C19H18F4N4O2/c1-12(20)17(28)27-9-15(26-18-24-7-2-8-25-18)16(10-27)29-11-13-3-5-14(6-4-13)19(21,22)23/h2-8,15-16H,1,9-11H2,(H,24,25,26)/t15-,16-/m1/s1
InChIKey
KVAWNRUJSYWYJX-HZPDHXFCSA-N
Chemical Structure
2D Structure
2D structure of 2-fluoro-1-[(3R,4R)-3-(pyrimidin-2-ylamino)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CAS: 2857937-59-6
CID: 164517031
Formula: C19H18F4N4O2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass410.13658848
Monoisotopic Mass410.13658848
Topological Polar Surface Area67.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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