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104632-25-9 molecular structure
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(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

ChemBase ID: 73222
Molecular Formular: C10H17N3S
Molecular Mass: 211.32708
Monoisotopic Mass: 211.11431856
SMILES and InChIs

SMILES:
[C@@H]1(CCc2c(C1)sc(n2)N)NCCC
Canonical SMILES:
CCCN[C@H]1CCc2c(C1)sc(n2)N
InChI:
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
InChIKey:
FASDKYOPVNHBLU-ZETCQYMHSA-N

Cite this record

CBID:73222 http://www.chembase.cn/molecule-73222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
IUPAC Traditional name
pramipexole
Synonyms
Mirapexin
Sifrol
Pramipexole (Mirapex)
(S)-4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine Dihydrochloride
(S)-Pramipexole Dihydrochloride
(S)-4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
(S)-Pramipexole
CAS Number
104632-25-9
104632-26-0
PubChem SID
162038142
PubChem CID
119570

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 119570 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.661047  H Acceptors
H Donor LogD (pH = 5.5) -1.5217185 
LogD (pH = 7.4) -0.98125774  Log P 1.7642827 
Molar Refractivity 59.7672 cm3 Polarizability 22.761166 Å3
Polar Surface Area 50.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
White Solid expand Show data source
Melting Point
127-128°C expand Show data source
288-290°C expand Show data source
Storage Condition
-20°C expand Show data source
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Target
Dopamine receptor expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals TRC TRC
Selleck Chemicals - S2460 external link
Biological Activity:
Pramipexole (Mirapex) is a partial/full D2S, D2L, D3, D4 receptor agonist with a Ki of 3.9, 2.2, 0.5 and 5.1 nM for D2S, D2L, D3, D4 receptor, respectively. Pramipexole (Mirapex) also possesses low/insignificant affinity (500-10,000 nM) for the 5-HT1A, 5-HT1B, 5-HT1D, and α2-adrenergic receptors. Pramipexole (Mirapex) has negligible affinity (>10,000 nM) for the D1, D5, 5-HT2, α1-adrenergic, β-adrenergic, H1, and mACh receptors. Pramipexole (Mirapex) is a non-ergoline dopamine agonist revealed for treating early-stage Parkinson’s disease (PD) and restless legs syndrome (RLS). [1][2][3]References on Pramipexole (Mirapex)[1] http://en.wikipedia.org/wiki/Pramipexole, , [2] Clin Ther., 2006 Aug, 28(8):1065-78.[3] J Pharmacol Exp Ther., 2002 Nov, 303(2):805-14.
Toronto Research Chemicals - P700755 external link
A dopamine-D2-receptor agonist. Antiparkinsonian.
Toronto Research Chemicals - P700750 external link
(S)-Pramipexole enantiomer. A dopamine-D2-receptor agonist. Antiparkinsonian. Pramipexole (Mirapex, Mirapexin, Sifrol) is a non-ergoline dopamine agonist indicated for treating early-stage Parkinson's disease (PD) and restless legs syndrome (RLS).[1] It i

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kvernmo T et al. Clin Ther. 2006 Aug;28(8):1065-78.
  • • Schilling, J.C., et al.: Clin. Pharmacol. Ther., 51, 541 (1992)
  • • Kieburtz, K., et al.: J. Am. Med. Assoc., 278, 125 (1997)
  • • Mierau, J., et al.: J. Med. Chem., 30, 494 (1987)
  • • Schilling, J.C., et al.: Clin. Pharmacol. Ther., 51, 541 (1987)
  • • Kieburtz, K., et al.: J. Am. Med. Assoc., 278, 125 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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