856243-80-6,MFCD18839228
Catalog No.:AA00G3NQ

856243-80-6 | Degrasyn (WP1130)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$34.00   $24.00
- +
5mg
≥95%
in stock  
$98.00   $68.00
- +
10mg
98+%
in stock  
$127.00   $89.00
- +
50mg
98+%
in stock  
$344.00   $241.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00G3NQ
Chemical Name:
Degrasyn (WP1130)
CAS Number:
856243-80-6
Molecular Formula:
C19H18BrN3O
Molecular Weight:
384.2697
MDL Number:
MFCD18839228
SMILES:
CCC[C@@H](c1ccccc1)NC(=O)/C(=C/c1cccc(n1)Br)/C#N
Properties
Computed Properties
 
Complexity:
490  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.3  

Downstream Synthesis Route

[1]Patent:US2012/77806,2012,A1.Locationinpatent:Page/Pagecolumn29;32

856243-80-6    27565-41-9   
3-(6-bromopyridin-2-yl)-2-cyano-3-(2,3-dihydroxy-4-mercaptobutylsulfanyl)-N-(1-phenylbutyl)propionamide 

[1]Patent:US2012/77806,2012,A1.Locationinpatent:Page/Pagecolumn29;32

856243-80-6    70024-90-7   
(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-(S)-(1-phenylbutyl)acrylamide-HumanSerumAlbuminadduct 

[1]Patent:WO2015/183987,2015,A1.Locationinpatent:Paragraph00349

[1]ChemicalCommunications,2020,vol.56,p.2929-2932

[2]Patent:WO2015/183987,2015,A1.Locationinpatent:Paragraph00348

856243-80-6   
3-(6-bromopyridin-2-yl)-2-cyano-N-((S)-1-phenylbutyl)propanamide 

[1]ChemicalCommunications,2020,vol.56,p.2929-2932

Literature

Title: Vialinin A is a ubiquitin-specific peptidase inhibitor.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: A novel small molecule deubiquitinase inhibitor blocks Jak2 signaling through Jak2 ubiquitination.

Journal: Cellular signalling 20111201

Title: Tyrphostin-like compounds with ubiquitin modulatory activity as possible therapeutic agents for multiple myeloma.

Journal: Bioorganic & medicinal chemistry 20111201

Title: Bcr-Abl ubiquitination and Usp9x inhibition block kinase signaling and promote CML cell apoptosis.

Journal: Blood 20110317

Title: Degrasyn potentiates the antitumor effects of bortezomib in mantle cell lymphoma cells in vitro and in vivo: therapeutic implications.

Journal: Molecular cancer therapeutics 20100701

Title: Activation of a novel Bcr/Abl destruction pathway by WP1130 induces apoptosis of chronic myelogenous leukemia cells.

Journal: Blood 20070415

Title: Bartholomeusz GA, et al. Activation of a novel Bcr/Abl destruction pathway by WP1130 induces apoptosis of chronic myelogenous leukemia cells. Blood. 2007 Apr 15;109(8):3470-8.

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Additional Info:
SDS
Related Products of 856243-80-6
Tags:856243-80-6 Molecular Formula|856243-80-6 MDL|856243-80-6 SMILES|856243-80-6 Degrasyn (WP1130)
Catalog No.: AA00G3NQ
856243-80-6,MFCD18839228
856243-80-6 | Degrasyn (WP1130)
Pack Size: 1mg
Purity: 98+%
in stock
$34.00 $24.00
Pack Size: 5mg
Purity: ≥95%
in stock
$98.00 $68.00
Pack Size: 10mg
Purity: 98+%
in stock
$127.00 $89.00
Pack Size: 50mg
Purity: 98+%
in stock
$344.00 $241.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00G3NQ
Chemical Name: Degrasyn (WP1130)
CAS Number: 856243-80-6
Molecular Formula: C19H18BrN3O
Molecular Weight: 384.2697
MDL Number: MFCD18839228
SMILES: CCC[C@@H](c1ccccc1)NC(=O)/C(=C/c1cccc(n1)Br)/C#N
Properties
Complexity: 490  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Downstream Synthesis Route
856243-80-6    96-27-5    1369506-58-0 

[1]Patent:US2012/77806,2012,A1.Locationinpatent:Page/Pagecolumn29;32

856243-80-6    27565-41-9   
3-(6-bromopyridin-2-yl)-2-cyano-3-(2,3-dihydroxy-4-mercaptobutylsulfanyl)-N-(1-phenylbutyl)propionamide 

[1]Patent:US2012/77806,2012,A1.Locationinpatent:Page/Pagecolumn29;32

856243-80-6    70024-90-7   
(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-(S)-(1-phenylbutyl)acrylamide-HumanSerumAlbuminadduct 

[1]Patent:WO2015/183987,2015,A1.Locationinpatent:Paragraph00349

34160-40-2    1240038-58-7    856243-80-6 

[1]ChemicalCommunications,2020,vol.56,p.2929-2932

[2]Patent:WO2015/183987,2015,A1.Locationinpatent:Paragraph00348

856243-80-6   
3-(6-bromopyridin-2-yl)-2-cyano-N-((S)-1-phenylbutyl)propanamide 

[1]ChemicalCommunications,2020,vol.56,p.2929-2932

Literature fold

Title: Vialinin A is a ubiquitin-specific peptidase inhibitor.

Journal: Bioorganic & medicinal chemistry letters20130801

Title: A novel small molecule deubiquitinase inhibitor blocks Jak2 signaling through Jak2 ubiquitination.

Journal: Cellular signalling20111201

Title: Tyrphostin-like compounds with ubiquitin modulatory activity as possible therapeutic agents for multiple myeloma.

Journal: Bioorganic & medicinal chemistry20111201

Title: Bcr-Abl ubiquitination and Usp9x inhibition block kinase signaling and promote CML cell apoptosis.

Journal: Blood20110317

Title: Degrasyn potentiates the antitumor effects of bortezomib in mantle cell lymphoma cells in vitro and in vivo: therapeutic implications.

Journal: Molecular cancer therapeutics20100701

Title: Activation of a novel Bcr/Abl destruction pathway by WP1130 induces apoptosis of chronic myelogenous leukemia cells.

Journal: Blood20070415

Title: Bartholomeusz GA, et al. Activation of a novel Bcr/Abl destruction pathway by WP1130 induces apoptosis of chronic myelogenous leukemia cells. Blood. 2007 Apr 15;109(8):3470-8.

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