1316755-16-4,MFCD28502251
Catalog No.:AA009CJM

1316755-16-4 | PD-126055 free acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$80.00   $56.00
- +
5mg
≥95%
in stock  
$213.00   $149.00
- +
10mg
≥95%
in stock  
$383.00   $268.00
- +
25mg
≥95%
in stock  
$765.00   $535.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009CJM
Chemical Name:
PD-126055 free acid
CAS Number:
1316755-16-4
Molecular Formula:
C32H29NO5
Molecular Weight:
507.5764
MDL Number:
MFCD28502251
SMILES:
COc1ccc2c(c1OCc1ccccc1)C[C@H](N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O
Properties
Computed Properties
 
Complexity:
752  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.6  

Downstream Synthesis Route
CASUnavailable 
  1316755-16-4 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-US2012/22101,2012,A1Locationinpatent:Page/Pagecolumn18

PD126055 
  3984-14-3   
C34H35N3O6S 

[1]Patent:WO2015/3223,2015,A1.Locationinpatent:Page/Pagecolumn53

[1]Wakchaure,PrasadB.;Bremberg,Ulf;Wannberg,Johan;Larhed,Mats[Tetrahedron,2015,vol.71,#38,p.6881-6887]

Literature

Title: Development of EMA401 as an orally-administered, highly-selective angiotensin II type 2 receptor antagonist for the treatment of neuropathic pain.

Journal: Journal of the peripheral nervous system : JPNS 20141001

Title: EMA401, an orally administered highly selective angiotensin II type 2 receptor antagonist, as a novel treatment for postherpetic neuralgia: a randomised, double-blind, placebo-controlled phase 2 clinical trial.

Journal: Lancet (London, England) 20140510

Title: Angiotensin II: from blood pressure to pain control.

Journal: Lancet (London, England) 20140510

Title: Small molecule angiotensin II type 2 receptor (AT₂R) antagonists as novel analgesics for neuropathic pain: comparative pharmacokinetics, radioligand binding, and efficacy in rats.

Journal: Pain medicine (Malden, Mass.) 20130501

Title: Intraneuronal angiotensinergic system in rat and human dorsal root ganglia.

Journal: Regulatory peptides 20100608

Title: Estrogen elicits dorsal root ganglion axon sprouting via a renin-angiotensin system.

Journal: Endocrinology 20080701

Title: Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.

Journal: Journal of medicinal chemistry 19960202

Title: Suguru Koyama,et al. An Electroencephalography Bioassay for Preclinical Testing of Analgesic Efficacy.

Title: Anand U et al. Mechanisms underlying clinical efficacy of Angiotensin II type 2 receptor (AT2R) antagonist EMA401 in neuropathic pain: clinical tissue and in vitro studies. Mol Pain. 2015 Jun 26;11:38.

Title: Rice AS et al. EMA401, an orally administered highly selective angiotensin II type 2 receptor antagonist, as a novel treatment for postherpetic neuralgia: a randomised, double-blind, placebo-controlled phase 2 clinical trial.Lancet. 2014 May 10;383(9929):1637-47.

Quotation Request
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SDS
Tags:1316755-16-4 Molecular Formula|1316755-16-4 MDL|1316755-16-4 SMILES|1316755-16-4 PD-126055 free acid
Catalog No.: AA009CJM
1316755-16-4,MFCD28502251
1316755-16-4 | PD-126055 free acid
Pack Size: 1mg
Purity: ≥95%
in stock
$80.00 $56.00
Pack Size: 5mg
Purity: ≥95%
in stock
$213.00 $149.00
Pack Size: 10mg
Purity: ≥95%
in stock
$383.00 $268.00
Pack Size: 25mg
Purity: ≥95%
in stock
$765.00 $535.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA009CJM
Chemical Name: PD-126055 free acid
CAS Number: 1316755-16-4
Molecular Formula: C32H29NO5
Molecular Weight: 507.5764
MDL Number: MFCD28502251
SMILES: COc1ccc2c(c1OCc1ccccc1)C[C@H](N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O
Properties
Complexity: 752  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 38  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.6  
Downstream Synthesis Route
CASUnavailable 
  1316755-16-4 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-US2012/22101,2012,A1Locationinpatent:Page/Pagecolumn18

PD126055 
  3984-14-3   
C34H35N3O6S 

[1]Patent:WO2015/3223,2015,A1.Locationinpatent:Page/Pagecolumn53

1356460-45-1    1316755-16-4 

[1]Wakchaure,PrasadB.;Bremberg,Ulf;Wannberg,Johan;Larhed,Mats[Tetrahedron,2015,vol.71,#38,p.6881-6887]

Literature fold

Title: Development of EMA401 as an orally-administered, highly-selective angiotensin II type 2 receptor antagonist for the treatment of neuropathic pain.

Journal: Journal of the peripheral nervous system : JPNS20141001

Title: EMA401, an orally administered highly selective angiotensin II type 2 receptor antagonist, as a novel treatment for postherpetic neuralgia: a randomised, double-blind, placebo-controlled phase 2 clinical trial.

Journal: Lancet (London, England)20140510

Title: Angiotensin II: from blood pressure to pain control.

Journal: Lancet (London, England)20140510

Title: Small molecule angiotensin II type 2 receptor (AT₂R) antagonists as novel analgesics for neuropathic pain: comparative pharmacokinetics, radioligand binding, and efficacy in rats.

Journal: Pain medicine (Malden, Mass.)20130501

Title: Intraneuronal angiotensinergic system in rat and human dorsal root ganglia.

Journal: Regulatory peptides20100608

Title: Estrogen elicits dorsal root ganglion axon sprouting via a renin-angiotensin system.

Journal: Endocrinology20080701

Title: Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy.

Journal: Journal of medicinal chemistry19960202

Title: Suguru Koyama,et al. An Electroencephalography Bioassay for Preclinical Testing of Analgesic Efficacy.

Title: Anand U et al. Mechanisms underlying clinical efficacy of Angiotensin II type 2 receptor (AT2R) antagonist EMA401 in neuropathic pain: clinical tissue and in vitro studies. Mol Pain. 2015 Jun 26;11:38.

Title: Rice AS et al. EMA401, an orally administered highly selective angiotensin II type 2 receptor antagonist, as a novel treatment for postherpetic neuralgia: a randomised, double-blind, placebo-controlled phase 2 clinical trial.Lancet. 2014 May 10;383(9929):1637-47.

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