DSP-4 - ≥98%(HPLC) , CAS No.40616-75-9

CAS: 40616-75-9 Cat. No.: D288182 Molecular Weight: 313.06

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-Hydroxy-2,3-dimethoxy-10-methyl-10H-acridin-9-one | N-(2-Bromobenzyl)-2-chloro-N-ethylethan-1-amine hydrochloride | DSP-4 (hydrochloride) | HY-103210 | D81991 | EU-0100299 | SMR000326817 | N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamine hydrochloride, >=98

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

DSP-4 hydrochloride (Neurotoxin DSP 4 hydrochloride) is a highly selective neurotoxin and readily passes the blood-brain barrier with neurotoxic effects on noradrenergic neurons of adult and developing rats, can be used for the temporary selective degradation of the central and peripheral noradrenergic neurons, mainly those from the locus coeruleus (LC)

Specifications

Synonyms

1-Hydroxy-2, 3-dimethoxy-10-methyl-10H-acridin-9-one | N-(2-Bromobenzyl)-2-chloro-N-ethylethan-1-amine hydrochloride | DSP-4 (hydrochloride) | HY-103210 | D81991 | EU-0100299 | SMR000326817 | N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamine hydrochloride, >=98

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Adrenergic neurotoxin. Displays neurotoxic effects on both peripheral and central noradrenergic neurons.

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.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504766821
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766821
• Canonical Smiles: CCN(CCCl)CC1=CC=CC=C1Br.Cl
• IUPAC Name: N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine;hydrochloride
• InChIKey: NDDRNRRNYOULND-UHFFFAOYSA-N
• INCHI: 1S/C11H15BrClN.ClH/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12;/h3-6H,2,7-9H2,1H3;1H
• Isomeric SMILES: CCN(CCCl)CC1=CC=CC=C1Br.Cl
• WGK Germany: 3
• RTECS: DP1726100
• Alternate CAS: 62078-98-2
• Molecular Weight: 313.06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Bromobenzenes Aralkylamines Aryl bromides Trialkylamines Organopnictogen compounds Organochlorides Organobromides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Alkyl chloride - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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)

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO, the highest concentration (mg/mL): 125, the highest concentration (mM):399.28(Need ultrasonic)
• Molecular Weight: 313.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 310.984 Da
• Monoisotopic Mass: 310.984 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

References

1. Lina Ruan, Kaiyu Guan, Yue Wang, Ming Gu, Yue Chen, Lisha Cai, Ruixuan Ye, Zhengwei Huang, Anqi Guo, Zhengkang Su, Xi Li, Jianchun Pan.  (2022)  Baicalein exerts anxiolytic and antinociceptive effects in a mouse model of posttraumatic stress disorder: Involvement of the serotonergic system and spinal delta-opioid receptors.  PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY,      [PMID:36462602] [10.1016/j.pnpbp.2022.110689]