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A-366

CAT: 0931-T3624-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3624-01Size:1 mg
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CAS Number
1527503-11-2
Target
Epigenetic Reader Domain, Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.998
Bioactivity
A-366 is a highly selective peptide-competitive histone methyltransferase G9a inhibitor with IC50s of 3.3 and 38 nM for G9a and GLP, respectively.It is more than 1,000-fold selective for G9a and GLP over the other 21 methyltransferases. It is an inhibitor of the Spindlin1-H3K4me3 interaction with an IC50 of 182.6 nM.It exhibits high affinity for human H3R with a Ki value of 17 nM, and shows subtype selectivity between subgroups of the histaminergic and dopaminergic receptor families.
Smiles
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
Molecular Formula
C19H27N3O2
Molecular Weight
329.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5'-Methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro(cyclobutane-1,3'-indol)-2'-amine

inhibits histone methyltransferase G9a; structure in first source

CAS Number1527503-11-2
PubChem CID76285486
IUPAC Name5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine
Molecular FormulaC19H27N3O2
Molecular Weight329.4
XLogP2.2
Topological Polar Surface Area60.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity471
SMILES
COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4
InChI
InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChIKey
BKCDJTRMYWSXMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro(cyclobutane-1,3'-indol)-2'-amine
CAS: 1527503-11-2
CID: 76285486
Formula: C19H27N3O2
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass329.21032711
Monoisotopic Mass329.21032711
Topological Polar Surface Area60.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity471
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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