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A23887(A 23887 or A-23887) is a tetracyclic spiro amine which has previously been shown to have considerable affinity for dopamine D-2 receptors. It is important for defining the pharmacophore for D-2 antagonist activity due to its limited conformational freedom. This compound is important for defining the pharmacophore for D-2 antagonist activity due to their limited conformational freedom. Possible foldings of the multicyclic structure were energy minimized and the barriers for inversion and for rotation of the ammonium group were computed.
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Physicochemical Properties
| Molecular Formula |
C22H24NCL
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| Molecular Weight |
337.88566
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| Exact Mass |
337.16
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| CAS # |
61955-05-3
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| Related CAS # |
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| PubChem CID |
3039881
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
5.004
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
24
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| Complexity |
473
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(C)C1CCC2(C=C1)C3=CC=CC=C3CCC4=C2C=C(C=C4)Cl
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| InChi Key |
QPNVVIACYJVUOX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
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| Chemical Name |
5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-amine
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder-20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Biological Activity
| ln Vitro |
In vitro activity:
Kinase Assay:
Cell Assay: |
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| ln Vivo |
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| Animal Protocol |
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| References |
J Med Chem.1991 May;34(5):1707-14.
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Solubility Data
| Solubility (In Vitro) |
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| Solubility (In Vivo) |
(Please use freshly prepared in vivo formulations for optimal results.)
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| Preparing Stock Solutions |
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1 mg |
5 mg |
10 mg |
| 1 mM |
2.9595 mL |
14.7977 mL |
29.5954 mL |
| 5 mM |
0.5919 mL |
2.9595 mL |
5.9191 mL |
| 10 mM |
0.2960 mL |
1.4798 mL |
2.9595 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles. |
