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METTL3-IN-2

CAT: 0804-HY-148468Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-148468Size:1 Each
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Description
METTL3-IN-2 (compound 28) is a METTL3 inhibitor with an IC50 value of 6.1 nM. METTL3-IN-2 inhibits cell proliferation of Caov3 cancer cells[1].
CAS Number
2767258-88-6
UNSPSC
12352005
Target
METTL3
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mettl3-in-2.html
Solubility
10 mM in DMSO
Smiles
COC1=CN2C(C(C3=CN(CC4=CN5C(C=CC(CNCC6(C7)CC7C6)=C5)=N4)N=N3)=C1)=CN=C2
Molecular Formula
C25H26N8O
Molecular Weight
454.53
References & Citations
[1]Hardick, DJ, et al. Preparation of heteroaromatic compounds as METTL3 inhibitory compounds. WO2022074379. 2022.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mettl3-IN-2
CAS Number2767258-88-6
PubChem CID163239107
IUPAC NameN-(1-bicyclo[1.1.1]pentanylmethyl)-1-[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
Molecular FormulaC25H26N8O
Molecular Weight454.5
XLogP3.1
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity723
SMILES
COC1=CN2C=NC=C2C(=C1)C3=CN(N=N3)CC4=CN5C=C(C=CC5=N4)CNCC67CC(C6)C7
InChI
InChI=1S/C25H26N8O/c1-34-20-4-21(23-9-27-16-32(23)13-20)22-14-33(30-29-22)12-19-11-31-10-17(2-3-24(31)28-19)8-26-15-25-5-18(6-25)7-25/h2-4,9-11,13-14,16,18,26H,5-8,12,15H2,1H3
InChIKey
XYHNMVCKQISMBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mettl3-IN-2
CAS: 2767258-88-6
CID: 163239107
Formula: C25H26N8O
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass454.22295748
Monoisotopic Mass454.22295748
Topological Polar Surface Area86.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity723
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

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