CAS 1745-07-9 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy- | CAS Number 1745-07-9

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1745-07-9 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-

CAS No: 1745-07-9 Catalog No: AG001ZPQ MDL No:MFCD00777849

Product Description

Catalog Number:

AG001ZPQ

Chemical Name:

Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-

CAS Number:

1745-07-9

Molecular Formula:

C11H15NO2

Molecular Weight:

193.2423

MDL Number:

MFCD00777849

IUPAC Name:

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

InChI:

InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3

InChI Key:

CEIXWJHURKEBMQ-UHFFFAOYSA-N

SMILES:

COc1cc2CNCCc2cc1OC

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.246g/mol

Monoisotopic Mass:

193.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Orexins/hypocretins acting at Gi protein-coupled OX 2 receptors inhibit cyclic AMP synthesis in the primary neuronal cultures.	Journal of molecular neuroscience : MN 20120101
Activation of orexin 1 receptors in the periaqueductal gray of male rats leads to antinociception via retrograde endocannabinoid (2-arachidonoylglycerol)-induced disinhibition.	The Journal of neuroscience : the official journal of the Society for Neuroscience 20111012
Arylamides hybrids of two high-affinity σ2 receptor ligands as tools for the development of PET radiotracers.	European journal of medicinal chemistry 20110901
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Orexin/hypocretin signaling at the orexin 1 receptor regulates cue-elicited cocaine-seeking.	The European journal of neuroscience 20090801
Relationship between exposure of (-)-N-{2-[(R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidino]ethyl}-4-fluorobenzamide (YM758), a 'funny' if current channel inhibitor, and heart rate reduction in tachycardia-induced beagle dogs.	Drug metabolism and disposition: the biological fate of chemicals 20090701
Multi-drug-resistance-reverting agents: 2-aryloxazole and 2-arylthiazole derivatives as potent BCRP or MRP1 inhibitors.	ChemMedChem 20090201
2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological properties.	Journal of medicinal chemistry 20081211
4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators.	Bioorganic & medicinal chemistry 20080401
Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives.	Bioorganic & medicinal chemistry 20080101
In vitro activity of novel dual action MDR anthranilamide modulators with inhibitory activity at CYP-450.	Bioorganic & medicinal chemistry 20061201
3D pharmacophore models for 1,2,3,4-tetrahydroisoquinoline derivatives acting as anticonvulsant agents.	Archiv der Pharmazie 20060701
In vivo bioconversion of tetrahydroisoquinoline by recombinant coclaurine N-methyltransferase.	Bioscience, biotechnology, and biochemistry 20040401
The chromatographic data in QSAR assay of TIQs derivatives with beta2-adrenergic activity.	Acta poloniae pharmaceutica 20040101
N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist.	Bioorganic & medicinal chemistry letters 20031215
Molecular cloning and characterization of coclaurine N-methyltransferase from cultured cells of Coptis japonica.	The Journal of biological chemistry 20020104