Dextromilnacipran - Moligand™,≥98% , Inhibitor of DAT;Inhibitor of NET;Inhibitor of SERT, CAS No.96847-55-1, Inhibitor of DAT;Inhibitor of NET;Inhibitor of SERT

CAS: 96847-55-1 Cat. No.: L611511 Molecular Weight: 246.35

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-UGM0326TXX | (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide | Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1S,2R)- | Milnacipram | Levomilnacipran | EN300-19809925 | (1S,2R)-milnacipran | levomilnacipranum

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dextromilnacipran (Levomilnacipran) is a selective serotonin and norepinephrine reuptake inhibitor.

Specifications

Synonyms

UNII-UGM0326TXX | (1S, 2R)-2-(aminomethyl)-N, N-diethyl-1-phenylcyclopropane-1-carboxamide | Cyclopropanecarboxamide, 2-(aminomethyl)-N, N-diethyl-1-phenyl-, (1S, 2R)- | Milnacipram | Levomilnacipran | EN300-19809925 | (1S, 2R)-milnacipran | levomilnacipranum

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of DAT;Inhibitor of NET;Inhibitor of SERT

Purity

≥98%

Names and Identifiers

• Canonical Smiles: NC[C@@H]1C[C@]1(c1ccccc1)C(=O)N(CC)CC
• IUPAC Name: (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
• InChIKey: GJJFMKBJSRMPLA-DZGCQCFKSA-N
• INCHI: 1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
• Isomeric SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2
• Molecular Weight: 246.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Aralkylamines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Aralkylamine - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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)

SLC6A2 Tclin Sodium-dependent noradrenaline transporter (3 Activities)

Discover Target: SLC6A2

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

SLC6A3 Tclin Sodium-dependent dopamine transporter (1 Activities)

Discover Target: SLC6A3

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

SLC6A4 Tclin Sodium-dependent serotonin transporter (3 Activities)

Discover Target: SLC6A4

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

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)

Discover Target: GRIN2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caco-2 (12174 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 246.350 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 246.173 Da
• Monoisotopic Mass: 246.173 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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: 1

References

1. Wu Yuhan, Zhu Zhanpeng, Lan Tian, Li Shuhan, Li Ye, Wang Changmin, Feng Yabo, Mao Xueqin, Yu Shuyan.  (2023)  Levomilnacipran Improves Lipopolysaccharide-Induced Dysregulation of Synaptic Plasticity and Depression-Like Behaviors via Activating BDNF/TrkB Mediated PI3K/Akt/mTOR Signaling Pathway.  MOLECULAR NEUROBIOLOGY,      [PMID:38057644] [10.1007/s12035-023-03832-8]

2. Shuhan Li, Zhanpeng Zhu, Tian Lan, Yuhan Wu, Ye Li, Changmin Wang, Wencheng Jian, Shu Yan Yu.  (2023)  Levomilnacipran ameliorates lipopolysaccharide-induced depression-like behaviors and suppressed the TLR4/Ras signaling pathway.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:37413934] [10.1016/j.intimp.2023.110595]