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AJ 76

AJ 76 structure

CAS No:
85379-09-5
Formula:
C15H23NO
Chemical Name:
AJ 76
Synonyms:
2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-1-methyl-N-propyl-,(1S,2R)-;2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-1-methyl-N-propyl-,(1S-cis)-;(1S,2R)-1,2,3,4-Tetrahydro-5-methoxy-1-methyl-N-propyl-2-naphthalenamine;AJ 76;(+)-AJ 76;(1S,2R)-AJ 76
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

ChEBI: A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 nd 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively).

(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin is a secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively). It has a role as a dopaminergic antagonist. It is a member of tetralins and a secondary amino compound. It is a conjugate base of a (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+). It derives from a hydride of a tetralin.

AJ 76 Basic Attributes

Molecular Weight：

269.81

Exact Mass：

233.35

DSSTox ID：

DTXSID1043889

HScode：

2922299090

Characteristics

PSA：

21.26000

XLogP3：

4.30600

Density：

1g/cm3

Boiling Point：

345.3ºC at 760 mmHg

Flash Point：

145.9ºC

Refractive Index：

1.526

Storage Conditions：

Store at RT

Drug Information

MeSH：

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)

MeSH Entry Terms：

5-methoxy-1-methyl-2-(n-propylamino)tetralin

Computed Properties

Molecular Weight:233.35
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:233.177964357
Monoisotopic Mass:233.177964357
Topological Polar Surface Area:21.3
Heavy Atom Count:17
Complexity:231
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(+)-AJ 76 HYDROCHLORIDE.

CAS No.: 85379-09-5

Content: 98%

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