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508233-74-7,MFCD22380814
Catalog No.:AA00DB50

508233-74-7 | 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$6.00   $4.00
- +
5mg
98%
in stock  
$7.00   $5.00
- +
10mg
98%
in stock  
$9.00   $7.00
- +
50mg
98%
in stock  
$12.00   $8.00
- +
250mg
98%
in stock  
$15.00   $11.00
- +
1g
98%
in stock  
$22.00   $15.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DB50
Chemical Name:
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
CAS Number:
508233-74-7
Molecular Formula:
C18H22N2S
Molecular Weight:
298.4457
MDL Number:
MFCD22380814
SMILES:
Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
Properties
Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2008/113359,2008,A2Locationinpatent:Page/Pagecolumn15

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[2]CurrentPatentAssignee:H.LUNDBECKA/S-WO2008/113359,2008,A2Locationinpatent:Page/Pagecolumn18-19

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508233-74-7    110-16-7   
1-2-(2,4-dimethylphenylsulfanyl)-phenylpiperazinemaleate 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2007/144005,2007,A1Locationinpatent:Page/Pagecolumn34-35

[2]CurrentPatentAssignee:H.LUNDBECKA/S-WO2008/113359,2008,A2Locationinpatent:Page/Pagecolumn21

Literature

Title: Vortioxetine exerts anti-inflammatory and immunomodulatory effects on human monocytes/macrophages.

Journal: British journal of pharmacology 20180101

Title: 5-HTT and 5-HT(1A) receptor occupancy of the novel substance vortioxetine (Lu AA21004). A PET study in control subjects.

Journal: European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology 20131001

Title: Vortioxetine (Lu AA21004), a novel multimodal antidepressant, enhances memory in rats.

Journal: Pharmacology, biochemistry, and behavior 20130401

Title: A randomised, double-blind, placebo controlled, duloxetine-referenced, fixed-dose study of three dosages of Lu AA21004 in acute treatment of major depressive disorder (MDD).

Journal: European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology 20120701

Title: Identification of the cytochrome P450 and other enzymes involved in the in vitro oxidative metabolism of a novel antidepressant, Lu AA21004.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120701

Title: A randomized, double-blind, placebo-controlled, duloxetine-referenced, fixed-dose study comparing the efficacy and safety of Lu AA21004 in elderly patients with major depressive disorder.

Journal: International clinical psychopharmacology 20120701

Title: A double-blind, randomized, placebo-controlled, active reference study of Lu AA21004 in patients with major depressive disorder.

Journal: The international journal of neuropsychopharmacology 20120601

Title: Occupancy of the serotonin transporter after administration of Lu AA21004 and its relation to plasma concentration in healthy subjects.

Journal: Basic & clinical pharmacology & toxicology 20120401

Title: Pharmacological effects of Lu AA21004: a novel multimodal compound for the treatment of major depressive disorder.

Journal: The Journal of pharmacology and experimental therapeutics 20120301

Title: Biosynthesis and identification of an N-oxide/N-glucuronide metabolite and first synthesis of an N-O-glucuronide metabolite of Lu AA21004.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20111201

Title: Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder.

Journal: Journal of medicinal chemistry 20110512

Title: Lu-AA21004, a multimodal serotonergic agent, for the potential treatment of depression and anxiety.

Journal: IDrugs : the investigational drugs journal 20101201

Title: Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists and serotonin reuptake inhibitors.

Journal: Journal of medicinal chemistry 20040909

Title: Bang-Andersen B, Ruhland T, J?rgensen M, Discovery of 1--(2,4-dimethylphenylsulfanyl)phenylpiperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21.

Title: Guilloux JP, Mendez-David I, Pehrson A, Antidepressant and anxiolytic potential of the multimodal antidepressant vortioxetine (Lu AA21004) assessed by behavioural and neurogenesis outcomes in mice. Neuropharmacology. 2013 May 28;73C:147-159.

Title: Theunissen EL, Street D, H?jer AM, A randomized trial on the acute and steady-state effects of a new antidepressant, vortioxetine (Lu AA21004), on actual driving and cognition. Clin Pharmacol Ther. 2013 Jun;93(6):493-501.

Title: Rothschild AJ, Mahableshwarkar AR, Jacobsen P, Vortioxetine (Lu AA21004) 5mg in generalized anxiety disorder: results of an 8-week randomized, double-blind, placebo-controlled clinical trial in the United States. Eur Neuropsychopharmacol. 2012 Dec;22(12):858-66.

Title: M?rk A, Pehrson A, Brennum LT, Pharmacological effects of Lu AA21004: a novel multimodal compound for the treatment of major depressive disorder. J Pharmacol Exp Ther. 2012 Mar;340(3):666-75.

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SDS
Tags:508233-74-7 Molecular Formula|508233-74-7 MDL|508233-74-7 SMILES|508233-74-7 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine