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EHMT2-IN-2

CAT: 0804-HY-111904-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111904-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EHMT2-IN-2 is a potent EHMT inhibitor, with IC50s of all [1].
CAS Number
2230850-47-0
UNSPSC
12352005
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ehmt2-in-2.html
Concentration
10mM
Purity
99.0
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC1=CC(NC)=NC(NC2=CC=C(OC)C(C(N3)=C(C)C4=C3C=NC=C4)=C2)=N1
Molecular Formula
C21H22N6O
Molecular Weight
374.44
References & Citations
[1]John Emmerson Campbell, et al. Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof. WO2018118842A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EHMT1/GLP/KMT1D; EHMT2/G9a/KMT1C

Chemical Information

Ehmt2-IN-2
CAS Number2230850-47-0
PubChem CID135154251
IUPAC Name2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
Molecular FormulaC21H22N6O
Molecular Weight374.4
XLogP3.9
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity507
SMILES
CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)C3=C(C4=C(N3)C=NC=C4)C)NC
InChI
InChI=1S/C21H22N6O/c1-12-9-19(22-3)27-21(24-12)25-14-5-6-18(28-4)16(10-14)20-13(2)15-7-8-23-11-17(15)26-20/h5-11,26H,1-4H3,(H2,22,24,25,27)
InChIKey
AZRYONWATLLNFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ehmt2-IN-2
CAS: 2230850-47-0
CID: 135154251
Formula: C21H22N6O
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass374.18550935
Monoisotopic Mass374.18550935
Topological Polar Surface Area87.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity507
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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