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CAT: 0607-B4947-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B4947-10Size:10 mg
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Description
G9a/GLP histone lysine methyltransferase inhibitor
CAS Number
1527503-11-2
Product Name Alternative
5'-methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro[cyclobutane-1,3'-indol]-2'-amine
Field of Research
Chromatin Epigenetics Histone Methyltransferase
Purity
0.9822
Form
A solid
Solubility
insoluble in H2O; ≥10.1 mg/mL in EtOH; ≥11.9 mg/mL in DMSO
Smiles
NC1=NC2=CC(OCCCN3CCCC3)=C(OC)C=C2C14CCC4
Molecular Formula
C19H27N3O2
Molecular Weight
329.44
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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