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N-(2-chloroethyl)-N-ethyl-2-bromobenzylamine

HCID 3172
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
62078-98-2
Standard SMILES
CCN(CCCl)Cc1ccccc1Br
InChIKey
SDJLVPMBBFRBLL-UHFFFAOYSA-N
Molecular formula
C11H15BrClN
Average molar mass
276.6 g/mol
Monoisotopic mass
275.00764

Names & identifiers

Preferred name
N-(2-chloroethyl)-N-ethyl-2-bromobenzylamine
IUPAC
N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine
English name
DSP 4
Molecular formula
C11H15BrClN
Molecular weight
276.6

Names & synonyms

N-(2-Chloroethyl)-N-ethyl-2-bromobenzylamineRefChem:135871DSP 462078-98-2n-(2-bromobenzyl)-2-chloro-n-ethylethanamineBenzenemethanamine, 2-bromo-N-(2-chloroethyl)-N-ethyl-PQ1P7JP5C12-Bromo-N-(2-chloroethyl)-N-ethylbenzenemethanamineN-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamineN-(2-Bromobenzyl)-2-chloro-N-ethylethan-1-amineaz-Dsp 4UNII-PQ1P7JP5C1
Show more names
DTXSID50211124DSP 4 (free base)starbld0002529Lopac-C-8417Lopac0_000299SCHEMBL693529orb1697354CHEMBL1334976

Database identifiers

CAS
62078-98-2
PubChem CID
3172
DTXSID
DTXSID50211124
ChEMBL
CHEMBL1334976
UNII
PQ1P7JP5C1
Nikkaji
J246.186B

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
154

Physicochemical properties

CAS DataBase Reference
62078 · 62078-98-2
FDA UNII
1 P7JP5C1 · PQ1P7JP5C1

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.

Drugs that inhibit the transport of neurotransmitters into axon terminals or into storage vesicles within terminals. For many transmitters, uptake determines the time course of transmitter action so inhibiting uptake prolongs the activity of the transmitter. Blocking uptake may also deplete available transmitter stores. Many clinically important drugs are uptake inhibitors although the indirect reactions of the brain rather than the acute block of uptake itself is often responsible for the therapeutic effects.

Drugs that act on adrenergic receptors or affect the life cycle of adrenergic transmitters. Included here are adrenergic agonists and antagonists and agents that affect the synthesis, storage, uptake, metabolism, or release of adrenergic transmitters.

Applications · 1 item

UsesDSP 4 Free base is a selective neurotoxin that targets noradrenergic neurons in the locus coeruleus noradrenergic system. DSP 4 Free base possesses the unique ability to cross the blood–brain barrier. DSP 4 Free base cyclizes to form a reactive aziridinium derivative that accumulates in noradrenergic neurons.

Suppliers4 total

陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

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Compound notes

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