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1138245-13-2,MFCD28411425
Catalog No.:AA009571

1138245-13-2 | 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$19.00   $14.00
- +
5mg
98%
in stock  
$50.00   $35.00
- +
10mg
98%
in stock  
$74.00   $52.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009571
Chemical Name:
2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid
CAS Number:
1138245-13-2
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD28411425
SMILES:
CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
Properties
Computed Properties
 
Complexity:
311  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
-1.7  

Upstream Synthesis Route

[1]Patent:EP2192109,2010,A1,.Locationinpatent:Page/Pagecolumn45

Downstream Synthesis Route

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2192109,2010,A1Locationinpatent:Page/Pagecolumn52

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1Locationinpatent:Paragraph0172-0175

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2192109,2010,A1Locationinpatent:Page/Pagecolumn45

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[3]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[5]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[3]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[5]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1Locationinpatent:Paragraph0170;0171

Literature

Title: Vinik A, et al. Efficacy and safety of Mirogabalin (DS-5565) for the treatment of diabetic peripheral neuropathic pain: a randomized, double-blind, placebo- and active comparator-controlled, adaptive proof-of-concept phase 2 study. Diabetes Care. 2014 Dec

Title: Hutmacher MM, et al. Exposure-response modeling of average daily pain score, and dizziness and somnolence, forMirogabalin (DS-5565) in patients with diabetic peripheral neuropathic pain. J Clin Pharmacol. 2016 Jan;56(1):67-77.

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SDS
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Tags:1138245-13-2 Molecular Formula|1138245-13-2 MDL|1138245-13-2 SMILES|1138245-13-2 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid
Catalog No.: AA009571
1138245-13-2,MFCD28411425
1138245-13-2 | 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid
Pack Size： 1mg
Purity： 98%
in stock
$19.00 $14.00
Pack Size： 5mg
Purity： 98%
in stock
$50.00 $35.00
Pack Size： 10mg
Purity： 98%
in stock
$74.00 $52.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA009571
Chemical Name: 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid
CAS Number: 1138245-13-2
Molecular Formula: C12H19NO2
Molecular Weight: 209.2848
MDL Number: MFCD28411425
SMILES: CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
Properties
Complexity: 311  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 3  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 4  
XLogP3: -1.7  
Upstream Synthesis Route
1138246-20-4    1138245-13-2 

[1]Patent:EP2192109,2010,A1,.Locationinpatent:Page/Pagecolumn45

Downstream Synthesis Route
1138245-13-2    98-11-3    1138245-21-2 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2192109,2010,A1Locationinpatent:Page/Pagecolumn52

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1Locationinpatent:Paragraph0172-0175

1138246-20-4    1138245-13-2 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2192109,2010,A1Locationinpatent:Page/Pagecolumn45

1644251-28-4    1138245-13-2 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[3]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[5]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

1644251-53-5    1138245-13-2 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[3]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

[5]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1

1644251-60-4    1138245-13-2 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2871176,2015,A1Locationinpatent:Paragraph0170;0171

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