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79338-84-4,MFCD13193203
Catalog No.:AA00G81F

79338-84-4 | Benvitimod

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$72.00   $50.00
- +
10mg
≥98%
in stock  
$102.00   $71.00
- +
100mg
97%
in stock  
$122.00   $86.00
- +
250mg
97%
in stock  
$246.00   $172.00
- +
500mg
97%
in stock  
$358.00   $251.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G81F
Chemical Name:
Benvitimod
CAS Number:
79338-84-4
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD13193203
SMILES:
CC(c1c(O)cc(cc1O)/C=C/c1ccccc1)C
Properties
Properties
 
BP:
431.8°C at 760 mmHg  
Form:
Solid  
MP:
140 - 142°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
280  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Krow,GrantR.;Miles,WilliamH.;Smiley,PatriciaM.;Lester,WaldenS.;Kim,YongJ.[JournalofOrganicChemistry,1992,vol.57,#14,p.4040-4043]

[2]CurrentPatentAssignee:WUHANINNERSEPHARMACEUTICALS-CN112661611,2021,ALocationinpatent:Paragraph0029

79338-84-4    76-02-8   
2-isopropyl-5-(2-phenylethenyl)-3-(trichloroacetoxy)phenyltrichloroacetate 

[1]Hu,Kaiji;Li,Jianxiong;Li,Bin;Webster,JohnM.;Chen,Genhui[BioorganicandMedicinalChemistry,2006,vol.14,#13,p.4677-4681]

79338-84-4   
2-isopropyl-5-(3-phenyloxiranyl)benzene-1,3-diol 

[1]Hu,Kaiji;Li,Jianxiong;Li,Bin;Webster,JohnM.;Chen,Genhui[BioorganicandMedicinalChemistry,2006,vol.14,#13,p.4677-4681]

79338-84-4   
2-isopropyl-5-(3-phenyloxiranyl)-3-(trichloroacetoxy)phenyltrichloroacetate 

[1]Hu,Kaiji;Li,Jianxiong;Li,Bin;Webster,JohnM.;Chen,Genhui[BioorganicandMedicinalChemistry,2006,vol.14,#13,p.4677-4681]

[1]Krow,GrantR.;Miles,WilliamH.;Smiley,PatriciaM.;Lester,WaldenS.;Kim,YongJ.[JournalofOrganicChemistry,1992,vol.57,#14,p.4040-4043]

Literature

Title: Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans.

Journal: The Journal of investigative dermatology 20171001

Title: Efficacy and safety of topical WBI-1001 in patients with mild to moderate psoriasis: results from a randomized double-blind placebo-controlled, phase II trial.

Journal: Journal of the European Academy of Dermatology and Venereology : JEADV 20121201

Title: The preparation of 3,5-dihydroxy-4-isopropylstilbene nanoemulsion and in vitro release.

Journal: International journal of nanomedicine 20110101

Title: A metabolic switch is involved in lifestyle decisions in Photorhabdus luminescens.

Journal: Molecular microbiology 20100901

Title: Nematicidal activity of anion transport blockers against Meloidogyne incognita, Caenorhabditis elegans and Heterorhabditis bacteriophora.

Journal: Pest management science 20080601

Title: Smith SH, et al. Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans. J Invest Dermatol. 2017 Oct;137(10):2110-2119.

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