Iadademstat dihydrochloride - ≥99% , CAS No.1431303-72-8

CAS: 1431303-72-8 Cat. No.: I650192 Molecular Weight: 303.27 PubChem CID: 71664305

GRADE & PURITY ≥99%

Synonyms

1431326-61-2 | MS-24378 | N1-((1R,2S)-2-phenylcyclopropyl)cyclohexane-1,4-diamine dihydrochloride | ORY 1001 | Iadademstat (dihydrochloride) | AKOS027326828 | ORY-1001(trans) | A901235 | LSD1-IN-1 | 1431303-72-8 | HY-12782 | Iadademstat dihydrochloride |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Iadademstat (ORY-1001) dihydrochloride is a selective irreversible lysine (K)-specific demethylase 1A ( KDM1A / LSD1 ) inhibitor.

In Vitro

Iadademstat dihydrochloride is a KDM1A inhibitor that inactivate KDM1A by irreversible binding to the flavin adenine nucleotide (FAD) cofactor. Iadademstat has very high selectivity for KDM1A over the MAO enzymes, high selectivity over KDM1B and unrivaled subnanomolar cellular activity in differentiation and colony formation assays on mixed lineage leukemia (MLL)-translocated acute myeloid leukemia (AML) cell lines. Iadademstat provokes a time and dose-dependent induction of the Cd11b differentiation marker in MLL-AF9 cells, which interestingly preceeds changes in H3K4me2 levels. While MLL-translocated cells are especially sensitive, other acute leukemia (AL) cell lines also respond to Iadademstat. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Iadademstat reduces AML tumor growth in mice and rat xenografts and increases survival time in a disseminated model of T-ALL . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:KDM1A/LSD1

Specifications

Synonyms

1431326-61-2 | MS-24378 | N1-((1R, 2S)-2-phenylcyclopropyl)cyclohexane-1, 4-diamine dihydrochloride | ORY 1001 | Iadademstat (dihydrochloride) | AKOS027326828 | ORY-1001(trans) | A901235 | LSD1-IN-1 | 1431303-72-8 | HY-12782 | Iadademstat dihydrochloride |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Iadademstat (ORY-1001) dihydrochloride is a selective irreversible lysine (K)-specific demethylase 1A ( KDM1A / LSD1 ) inhibitor.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CC(CCC1N)NC2CC2C3=CC=CC=C3.Cl.Cl
• IUPAC Name: 4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
• InChIKey: UCINOBZMLCREGM-RNNUGBGQSA-N
• INCHI: 1S/C15H22N2.2ClH/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11;;/h1-5,12-15,17H,6-10,16H2;2*1H/t12?,13?,14-,15+;;/m0../s1
• Isomeric SMILES: C1CC(CCC1N)N[C@@H]2C[C@H]2C3=CC=CC=C3.Cl.Cl
• Alternate CAS: 1431303-72-8
• PubChem CID: 71664305
• Molecular Weight: 303.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Cyclohexylamines Benzene and substituted derivatives Dialkylamines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Cyclohexylamine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KDM1A Tchem Lysine-specific histone demethylase 1A (0 Activities)

Discover Target: KDM1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: H2O : 57.75 mg/mL (190.42 mM; Need ultrasonic and warming) DMSO : 0.69 mg/mL (2.28 mM; Need ultrasonic and warming)
• Molecular Weight: 303.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 302.132 Da
• Monoisotopic Mass: 302.132 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3