1446817-84-0,MFCD31735112
Catalog No.:AA01EOBI

1446817-84-0 | Abx-1431

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$8.00   $6.00
- +
5mg
98%
in stock  
$27.00   $19.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EOBI
Chemical Name:
Abx-1431
CAS Number:
1446817-84-0
Molecular Formula:
C20H22F9N3O2
Molecular Weight:
507.3932
MDL Number:
MFCD31735112
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
670  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
13  
Rotatable Bond Count:
5  
XLogP3:
5.2  

Downstream Synthesis Route
1446817-84-0   
1,1,1,3,3,3-hexafluoropropan-2-yl4-(2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzyl)piperazine-1-carboxylatemono-hydrochloride 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-US2021/323938,2021,A1Locationinpatent:Paragraph0303-0305

[2]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00366

75-75-2    1446817-84-0   
C20H22F9N3O2*CH4O3S 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00513

1446817-84-0    110-17-8   
(x)C4H4O4*C20H22F9N3O2 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00520

[1]JournalofMedicinalChemistry,2018,vol.61,p.9062-9084

Literature

Title: Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders.

Journal: Journal of medicinal chemistry 20181025

Title: Cisar JS, et al. Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders. J Med Chem. 2018 Oct 25;61(20):9062-9084.

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Tags:1446817-84-0 Molecular Formula|1446817-84-0 MDL|1446817-84-0 SMILES|1446817-84-0 Abx-1431
Catalog No.: AA01EOBI
1446817-84-0,MFCD31735112
1446817-84-0 | Abx-1431
Pack Size: 1mg
Purity: 98%
in stock
$8.00 $6.00
Pack Size: 5mg
Purity: 98%
in stock
$27.00 $19.00
Quantity
- +
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Technical Information
Catalog Number: AA01EOBI
Chemical Name: Abx-1431
CAS Number: 1446817-84-0
Molecular Formula: C20H22F9N3O2
Molecular Weight: 507.3932
MDL Number: MFCD31735112
SMILES: O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
Properties
Complexity: 670  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 34  
Hydrogen Bond Acceptor Count: 13  
Rotatable Bond Count: 5  
XLogP3: 5.2  
Downstream Synthesis Route
1446817-84-0   
1,1,1,3,3,3-hexafluoropropan-2-yl4-(2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzyl)piperazine-1-carboxylatemono-hydrochloride 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-US2021/323938,2021,A1Locationinpatent:Paragraph0303-0305

[2]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00366

75-75-2    1446817-84-0   
C20H22F9N3O2*CH4O3S 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00513

1446817-84-0    110-17-8   
(x)C4H4O4*C20H22F9N3O2 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2018/93953,2018,A1Locationinpatent:Paragraph00520

89763-93-9    1446817-84-0 

[1]JournalofMedicinalChemistry,2018,vol.61,p.9062-9084

Literature fold

Title: Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders.

Journal: Journal of medicinal chemistry20181025

Title: Cisar JS, et al. Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders. J Med Chem. 2018 Oct 25;61(20):9062-9084.

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