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RN-1 dihydrochloride

CAT: 0013-GTR19173780-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173780-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RN-1 dihydrochloride is a potent, selective, and irreversible inhibitor of lysine-specific demethylase 1 (LSD1) with an IC50 of 70 nM. This compound is a valuable chemical probe for epigenetic research, enabling the study of LSD1's role in cancer biology and other diseases in both cellular and animal models.
CAS Number
1781835-13-9
Product Name Alternative
Sickle, RN1, RN-1, RN1 dihydrochloride, RN1 Dihydrochloride, RN-1 Dihydrochloride, RN 1, RN 1 dihydrochloride, RN 1 Dihydrochloride, brain-penetrant, disease, cell, inhibit, irreversible, LSD1, hemoglobin, HbF, Inhibitor, HistoneDemethylase, Histone Demethylase, MAO-B, MAO-A, fetal
Field of Research
Epigenetics & Chromatin, Metabolism Research, Neuroscience
Purity
99.61% (May vary between batches)
Solubility
H2O:18 mg/mL (39.79 mM)
Smiles
Cl.Cl.CN1CCN (CC1) C (=O) CN[C@H]1C[C@@H]1c1ccc (OCc2ccccc2) cc1
Molecular Formula
C23H31Cl2N3O2
Molecular Weight
452.42
Storage Conditions
-20°C
Notes
For research use only.

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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