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1392116-14-1,MFCD30533451
Catalog No.:AA01EOKV

1392116-14-1 | (S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
in stock  
$361.00   $253.00
- +
10mg
in stock  
$400.00   $280.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EOKV
Chemical Name:
(S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
CAS Number:
1392116-14-1
Molecular Formula:
C27H27Cl2N5O3S
Molecular Weight:
572.5060
MDL Number:
MFCD30533451
SMILES:
Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N\[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
977  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1

C27H26Cl2N4O4S 
  1392116-14-1    1404117-65-2 

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1Locationinpatent:Paragraph00130;00133

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1

Literature

Title: JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities.

Journal: Bioorganic & medicinal chemistry letters 20121001

Title: Chorvat RJ. Peripherally restricted CB1 receptor blockers. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4751-60.

Title: Knani I, et al. Targeting the endocannabinoid/CB1 receptor system for treating obesity in Prader-Willi syndrome. Mol Metab. 2016 Oct 22;5(12):1187-1199.

Title: Mukhopadhyay B, et al. Cannabinoid receptor 1 promotes hepatocellular carcinoma initiation and progression through multiple mechanisms. Hepatology. 2015 May;61(5):1615-26.

Quotation Request
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SDS
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Tags:1392116-14-1 Molecular Formula|1392116-14-1 MDL|1392116-14-1 SMILES|1392116-14-1 (S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
Catalog No.: AA01EOKV
1392116-14-1,MFCD30533451
1392116-14-1 | (S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
Pack Size： 5mg
Purity：
in stock
$361.00 $253.00
Pack Size： 10mg
Purity：
in stock
$400.00 $280.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EOKV
Chemical Name: (S)-2-((((S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-chlorophenylsulfonamido)methylene)amino)-3-methylbutanamide
CAS Number: 1392116-14-1
Molecular Formula: C27H27Cl2N5O3S
Molecular Weight: 572.5060
MDL Number: MFCD30533451
SMILES: Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N\[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity: 977  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 38  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.7  
Downstream Synthesis Route
464213-17-0    1392116-14-1    1404117-65-2 

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1

C27H26Cl2N4O4S 
  1392116-14-1    1404117-65-2 

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1Locationinpatent:Paragraph00130;00133

362519-51-5    1392116-14-1    1404117-65-2 

[1]CurrentPatentAssignee:JENRINDISCOVERY-WO2014/18695,2014,A1

Literature fold

Title: JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities.

Journal: Bioorganic & medicinal chemistry letters20121001

Title: Chorvat RJ. Peripherally restricted CB1 receptor blockers. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4751-60.

Title: Knani I, et al. Targeting the endocannabinoid/CB1 receptor system for treating obesity in Prader-Willi syndrome. Mol Metab. 2016 Oct 22;5(12):1187-1199.

Title: Mukhopadhyay B, et al. Cannabinoid receptor 1 promotes hepatocellular carcinoma initiation and progression through multiple mechanisms. Hepatology. 2015 May;61(5):1615-26.

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