Products for Research Use Only

METTL3-IN-1

CAT: 0013-GTR19212472-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212472-01Size:25 mg
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Description
METTL3-IN-1 is a potent and selective small-molecule inhibitor of the METTL3 methyltransferase. It is utilized in research to investigate the role of m6A RNA methylation in cancer biology and other diseases, enabling both in vitro and in vivo experimental studies.
CAS Number
2648257-77-4
Field of Research
Signal Transduction
Smiles
C (NCC=1NC=2C (C1) =CC=C (CNC (=O) C=3N=C4N (C (=O) C3) C=CC=C4) C2) C56CC (F) (C5) C6
Molecular Formula
C25H24FN5O2
Molecular Weight
445.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mettl3-IN-1
CAS Number2648257-77-4
PubChem CID156748880
IUPAC NameN-[[2-[[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
Molecular FormulaC25H24FN5O2
Molecular Weight445.5
XLogP1.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity966
SMILES
C1C2(CC1(C2)F)CNCC3=CC4=C(N3)C=C(C=C4)CNC(=O)C5=CC(=O)N6C=CC=CC6=N5
InChI
InChI=1S/C25H24FN5O2/c26-25-12-24(13-25,14-25)15-27-11-18-8-17-5-4-16(7-19(17)29-18)10-28-23(33)20-9-22(32)31-6-2-1-3-21(31)30-20/h1-9,27,29H,10-15H2,(H,28,33)
InChIKey
BIZDSLHMJYUZMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mettl3-IN-1
CAS: 2648257-77-4
CID: 156748880
Formula: C25H24FN5O2
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass445.19140319
Monoisotopic Mass445.19140319
Topological Polar Surface Area89.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity966
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