Dapoxetine - Moligand™, ≥98% , Serotonin transporter inhibitor, CAS No.119356-77-3, Serotonin transporter inhibitor

CAS: 119356-77-3 Cat. No.: D302541 Molecular Weight: 305.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

Conadil | Benzenemethanamine, N,N-dimethyl-alpha-[2-(1-naphthalenyloxy)ethyl]-, (alphaS)- | Dapoxetine (Free Base) | N,N-dimethyl-alpha-[2-(1-naphthalenyloxy)ethyl]-Benzenemethanamine | Sulindac,(S) | DTXCID1031416 | CHEBI:135962 | C21H23NO | DB04884 | Da

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product Describtion:
Dapoxetine ((+)-(S)-N,N-dimethyl-(α)-[2(1naphthal enyloxy)ethyl]-benzenemethanamine hydrochloride) possess a similar structure as that of fluoxetine.

Product Application:
Dapoxetine is a serotonin reuptake inhibitor used for the treatment of premature ejaculation.

Specifications

Synonyms

Conadil | Benzenemethanamine, N, N-dimethyl-alpha-[2-(1-naphthalenyloxy)ethyl]-, (alphaS)- | Dapoxetine (Free Base) | N, N-dimethyl-alpha-[2-(1-naphthalenyloxy)ethyl]-Benzenemethanamine | Sulindac, (S) | DTXCID1031416 | CHEBI:135962 | C21H23NO | DB04884 | Da

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Dapoxetine is capable of blocking recombinant Kv4.3 potassium voltage-gated channels. It is considered as safe

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Serotonin transporter inhibitor

Purity

≥98%

Product Properties

• ALogP: 5.1

Names and Identifiers

• Pubchem Sid: 504754617
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754617
• Canonical Smiles: CN(C)C(CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3
• IUPAC Name: (1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
• InChIKey: USRHYDPUVLEVMC-FQEVSTJZSA-N
• INCHI: 1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1
• Isomeric SMILES: CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3
• Molecular Weight: 305.40
• Reaxy-Rn: 13862595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13862595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Trialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

SLC6A4 Tclin Sodium-dependent serotonin transporter (1 Activities)

Discover Target: SLC6A4

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
• Specific Rotation[α]: +125 to +135°, c = 1 in methanol
• Molecular Weight: 305.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 305.178 Da
• Monoisotopic Mass: 305.178 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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