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RL5a

CAT: 0013-GTR19238782-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238782-01Size:25 mg
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Description
RL5a (compound C23) is a potent and selective small molecule inhibitor of the histone methyltransferase SETD8. It is a valuable research tool for investigating epigenetic regulation in cancer biology and other fields, with utility in both cellular and biochemical assays.
CAS Number
133671-66-6
Field of Research
Epigenetics & Chromatin
Smiles
N1=C2C=CC=CC2=C (C=C1C=3OC=CC3) NCCN (C) C
Molecular Formula
C17H19N3O
Molecular Weight
281.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CAS Number133671-66-6
PubChem CID453072
IUPAC NameN-[2-(furan-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Molecular FormulaC17H19N3O
Molecular Weight281.35
XLogP3
Topological Polar Surface Area41.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity323
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CO3
InChI
InChI=1S/C17H19N3O/c1-20(2)10-9-18-15-12-16(17-8-5-11-21-17)19-14-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKey
CRGKLHXVNVZAPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CAS: 133671-66-6
CID: 453072
Formula: C17H19N3O
MW: 281.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.35
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass281.152812238
Monoisotopic Mass281.152812238
Topological Polar Surface Area41.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity323
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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