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Home Other Building Blocks 3133-16-2
3133-16-2,MFCD31706409
Catalog No.:AA01EO7E

3133-16-2 | 4-Octyl Itaconate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$12.00   $8.00
- +
25mg
≥98% (mixture of tautomers)
in stock  
$58.00   $40.00
- +
50mg
≥98% (mixture of tautomers)
in stock  
$109.00   $76.00
- +
100mg
≥98% (mixture of tautomers)
in stock  
$202.00   $141.00
- +
250mg
98%
in stock  
$416.00   $292.00
- +
1g
98%
in stock  
$546.00   $383.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01EO7E
Chemical Name:
4-Octyl Itaconate
CAS Number:
3133-16-2
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
MDL Number:
MFCD31706409
SMILES:
CCCCCCCCOC(=O)CC(=C)C(=O)O
Properties
Properties
 
Form:
Solid  
Storage:
Light sensitive;Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
258  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Tian,Feng;Wang,Zhe;He,Junqiu;Zhang,Zhihao;Tan,Ninghua[EuropeanJournalofPharmacology,2020,vol.873]

[2]Richard,Jean-Victor;Delaite,Christelle;Riess,Gérard;Schuller,Anne-Sophie[ThermochimicaActa,2016,vol.623,p.136-143]

[1]Richard,Jean-Victor;Delaite,Christelle;Riess,Gérard;Schuller,Anne-Sophie[ThermochimicaActa,2016,vol.623,p.136-143]

70-18-8    3133-16-2   
C23H39N3O10S 

[1]Chen,Ying;Liu,Dongyang;Liu,Yuan;Qin,Wei;Tang,Huan;Wang,Chu;Zhang,Yanling[JournaloftheAmericanChemicalSociety,2020,vol.142,#25,p.10894-10898]

3133-16-2   
2-((2-methylene-4-(octyloxy)-4-oxobutanoyl)oxy)aceticacid 

[1]CurrentPatentAssignee:SITRYXTHERAPEUTICS;SITRYXTHERAPEUTICSLTD-WO2020/222010,2020,A1

Literature

Title: Mills EL, et al. Itaconate is an anti-inflammatory metabolite that activates Nrf2 via alkylation of KEAP1. Nature. 2018 Apr 5;556(7699):113-117.

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SDS
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Tags:3133-16-2 Molecular Formula|3133-16-2 MDL|3133-16-2 SMILES|3133-16-2 4-Octyl Itaconate