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RN-1 dihydrochloride

CAT: 0931-T21652-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21652-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1781835-13-9
Target
MAO, Histone Demethylase
Related Pathways
Metabolism, Chromatin/Epigenetic, Neuroscience
Purity
0.9964
Bioactivity
RN-1 dihydrochloride is an effective and selective irreversible inhibitor of lysine-specific demethylase 1 (LSD1, IC50 = 70 nM) .
Smiles
Cl.Cl.CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
Molecular Formula
C23H31Cl2N3O2
Molecular Weight
452.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RN-1 Dihydrochloride
CAS Number1781835-13-9
PubChem CID90488995
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone;dihydrochloride
Molecular FormulaC23H31Cl2N3O2
Molecular Weight452.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity492
SMILES
CN1CCN(CC1)C(=O)CN[C@@H]2C[C@H]2C3=CC=C(C=C3)OCC4=CC=CC=C4.Cl.Cl
InChI
InChI=1S/C23H29N3O2.2ClH/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18;;/h2-10,21-22,24H,11-17H2,1H3;2*1H/t21-,22+;;/m0../s1
InChIKey
WMHAFZOOUBPQRX-VSIGASKDSA-N
Chemical Structure
2D Structure
2D structure of RN-1 Dihydrochloride
CAS: 1781835-13-9
CID: 90488995
Formula: C23H31Cl2N3O2
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass451.1793326
Monoisotopic Mass451.1793326
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity492
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

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