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AJ-76

CAT: 0013-GTR19236793-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236793-02Size:250 mg
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Description
AJ-76 ((+) -AJ 76; (1S,2R) -AJ 76) is a dopamine autoreceptor antagonist. AJ-76 can increase the synthesis and turnover of dopamine in the rat brain, while having little effect on the synthesis and turnover of serotonin (5-HT) and norepinephrine. AJ-76 can also antagonize the sedative effects of low-dose apomorphine and has a weak antagonistic effect on postsynaptic dopamine receptor.
CAS Number
85379-09-5
Purity
>98%
Smiles
CCCNC1CCC2=C (C1C) C=CC=C2OC
Molecular Formula
C15H23NO
Molecular Weight
233.34922
Notes
For research use only.

Chemical Information

AJ 76

(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.

CAS Number85379-09-5
PubChem CID122334
IUPAC Name(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
Molecular FormulaC15H23NO
Molecular Weight233.35
XLogP3.4
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity231
SMILES
CCCN[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC
InChI
InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
InChIKey
YGHLYBIUVOLKCV-SMDDNHRTSA-N
Chemical Structure
2D Structure
2D structure of AJ 76
CAS: 85379-09-5
CID: 122334
Formula: C15H23NO
MW: 233.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.35
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass233.177964357
Monoisotopic Mass233.177964357
Topological Polar Surface Area21.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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