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GSK-LSD1 2HCl

CAT: 0957-S7574-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S7574-100mgSize:100 mg
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CAS Number
2102933-95-7
Target
Histone Demethylase
Applications
Epigenetics
Smiles
C1CNCCC1NC2CC2C3=CC=CC=C3.Cl.Cl
Molecular Formula
C14H22Cl2N2
Additionnal Information
GSK-LSD1 2HCl is an irreversible, and selective LSD1 inhibitor with IC50 of 16 nM, > 1000 fold selective over other closely related FAD utilizing enzymes (i.e. LSD2, MAO-A, MAO-B) .
Storage Conditions
2 years -80 in solvent

Chemical Information

GSK-LSD1 Dihydrochloride
CAS Number2102933-95-7
PubChem CID91663353
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride
Molecular FormulaC14H22Cl2N2
Molecular Weight289.2
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity217
SMILES
C1CNCCC1N[C@@H]2C[C@H]2C3=CC=CC=C3.Cl.Cl
InChI
InChI=1S/C14H20N2.2ClH/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12;;/h1-5,12-16H,6-10H2;2*1H/t13-,14+;;/m0../s1
InChIKey
PJFZOGMSPBHPNS-WICJZZOFSA-N
Chemical Structure
2D Structure
2D structure of GSK-LSD1 Dihydrochloride
CAS: 2102933-95-7
CID: 91663353
Formula: C14H22Cl2N2
MW: 289.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass288.1160041
Monoisotopic Mass288.1160041
Topological Polar Surface Area24.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes