Basic information
- CAS
171961-95-8- Standard SMILES
CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21- InChIKey
REHAKLRYABHSQJ-KDOFPFPSSA-N- Molecular formula
- C18H21NO2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.12930009
Overview
a selective dopamine D1 agonists; structure given in first source
Names & identifiers
- Preferred name
- A-86929
- IUPAC
- (1S,10R)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
- English name
- (5aR,11bS)-2-propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diol
- Molecular formula
- C18H21NO2S
- Molecular weight
- 315.43
Names & synonyms
Di-deacetyl adrogolideA-86929171961-95-8UNII-HSCUDB295JUNII-S3ZIH99X6EA 86929(5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-propylbenzo(f)thieno(2,3-C)quinoline-9,10-diolBenzo(f)thieno(2,3-c)quinoline-9,10-diol, 4,5,5a,6,7,11b-hexahydro-2-propyl-, hydrochloride, (5aR,11bS)-rel-A 869291(5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-propyl-3-thia-5-azacyclopenta(c)phenanthrene-9,10-diol173934-91-3BENZO(F)THIENO(2,3-C)QUINOLINE-9,10-DIOL, 4,5,5A,6,7,11B-HEXAHYDRO-2-PROPYL-, (5AR,11BS)-
Show more names
(5aR,11bS)-2-propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diolBenzo[f]thieno[2,3-c]quinoline-9,10-diol, 4,5,5a,6,7,11b-hexahydro-2-propyl-, (5aR,11bS)-
Benzo(f)thieno(2,3-c)quinoline-9,10-diol, 4,5,5a,6,7,11b-hexahydro-2-propyl-, hydrochloride, transRefChem:108399S3ZIH99X6ECHEMBL28338(1S,10R)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diolorb3028567SCHEMBL7006242SCHEMBL29359284
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- FDA UNII
- 3 ZIH99X6E · S3ZIH99X6E
Chemistry & industry
Applications
UsesA-86929 is a highly potent and selective dopamine D1 receptor agonist with a pKi value of 7.3. In the 6-OHDA (HY-B1081)-induced unilateral nigrostriatal lesion rat model, A-86929 significantly induces rotational behavior. It also improves motor function in the MPTP (HY-15608)-induced Parkinson's disease marmoset model. Additionally, A-86929 demonstrates potential therapeutic value in reducing cocaine-seeking behavior in rats and reversing Haloperidol (HY-14538)-induced cognitive deficits in rhesus monkeys. A-86929 can be used for research in neurological disorders[1].
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
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Compound notes
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