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YEATS4-IN-1

CAT: 0804-HY-152242Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152242Size:1 Each
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Description
YEATS4-IN-1 (Compound 4d) is a potent and selective YEATS4 binder that binds to the KAc recognition site of the YEATS structural domain with a Ki value of 33 nM[1].
CAS Number
3034365-92-6
Product Name Alternative
PFI-8
UNSPSC
12352005
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/yeats4-in-1.html
Solubility
10 mM in DMSO
Smiles
OC1(CN2C[C@H](C)[C@@H](C3=C(C=CC(C(NCC)=O)=C4)N4N=C3C)CC2)CCCCC1
Molecular Formula
C24H36N4O2
Molecular Weight
412.57
References & Citations
[1]Allyn T Londregan, et al. Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4. J Med Chem. 2023 Jan 12;66 (1) :460-472.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Yeats4-IN-1
CAS Number3034365-92-6
PubChem CID166642422
IUPAC NameN-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide
Molecular FormulaC24H36N4O2
Molecular Weight412.6
XLogP3.1
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity594
SMILES
CCNC(=O)C1=CN2C(=C(C(=N2)C)[C@H]3CCN(C[C@@H]3C)CC4(CCCCC4)O)C=C1
InChI
InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-21-22(18(3)26-28(21)15-19)20-10-13-27(14-17(20)2)16-24(30)11-6-5-7-12-24/h8-9,15,17,20,30H,4-7,10-14,16H2,1-3H3,(H,25,29)/t17-,20-/m0/s1
InChIKey
MJLJMNMVTQVARE-PXNSSMCTSA-N
Chemical Structure
2D Structure
2D structure of Yeats4-IN-1
CAS: 3034365-92-6
CID: 166642422
Formula: C24H36N4O2
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass412.28382640
Monoisotopic Mass412.28382640
Topological Polar Surface Area69.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity594
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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