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YTH-IN-1

CAT: 0931-T201820-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T201820-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2189366-92-3
Target
Epigenetic Reader Domain, Others
Related Pathways
Others, Chromatin/Epigenetic
Purity
0.9994
Bioactivity
YTH-IN-1 is an inhibitor of the five YTH structural domains in the human YTHDF1, YTHDF2, YTHDF3, YTHDC1, and YTHDC2 proteins.The YTH family of proteins is an N 6-methyladenosine (m6A) reader that plays an important regulatory role in gene expression.
Smiles
O=C1NCC2(C1)CN(C=3N=CN=C4C3N=CN4C5CC(CO)(CO)C5)CC2
Molecular Formula
C18H24N6O3
Molecular Weight
372.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Yth-IN-1
CAS Number2189366-92-3
PubChem CID132316145
IUPAC Name2-[9-[3,3-bis(hydroxymethyl)cyclobutyl]purin-6-yl]-2,7-diazaspiro[4.4]nonan-8-one
Molecular FormulaC18H24N6O3
Molecular Weight372.4
XLogP-1
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity594
SMILES
C1CN(CC12CC(=O)NC2)C3=NC=NC4=C3N=CN4C5CC(C5)(CO)CO
InChI
InChI=1S/C18H24N6O3/c25-8-18(9-26)3-12(4-18)24-11-22-14-15(20-10-21-16(14)24)23-2-1-17(7-23)5-13(27)19-6-17/h10-12,25-26H,1-9H2,(H,19,27)
InChIKey
OCYJDSNJTWCSPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Yth-IN-1
CAS: 2189366-92-3
CID: 132316145
Formula: C18H24N6O3
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass372.19098865
Monoisotopic Mass372.19098865
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes