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A-196

CAT: 0931-T4343-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T4343-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1982372-88-2
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9993
Bioactivity
A-196 is a potent and selective inhibitor of SUV420h1 and SUV420h2, with IC50 values of 0.025 μM and 0.144 μM, respectively; it is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets.
Smiles
Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
Molecular Formula
C18H16Cl2N4
Molecular Weight
359.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
CAS Number1982372-88-2
PubChem CID117072548
IUPAC Name6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
Molecular FormulaC18H16Cl2N4
Molecular Weight359.2
XLogP4.5
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
C1CCC(C1)NC2=NN=C(C3=CC(=C(C=C32)Cl)Cl)C4=CC=NC=C4
InChI
InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
InChIKey
ABGOSOMRWSYAOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
CAS: 1982372-88-2
CID: 117072548
Formula: C18H16Cl2N4
MW: 359.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.2
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass358.0752019
Monoisotopic Mass358.0752019
Topological Polar Surface Area50.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
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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Alternative Products

CatalogName
BA164085-01A 196
MBS3845110-01A-196
BA9244-5ERB-196

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