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101714-41-4,MFCD22415334
Catalog No.:AA00058E
101714-41-4 | Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester
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250mg
95.0%
3 weeks  
$266.00   $187.00
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500mg
95.0%
3 weeks  
$447.00   $313.00
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1g
95.0%
3 weeks  
$608.00   $425.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00058E
Chemical Name:
Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester
CAS Number:
101714-41-4
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD22415334
IUPAC Name:
[2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate
InChI:
InChI=1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
InChI Key:
SVFLBLCWKKQKDW-UHFFFAOYSA-N
SMILES:
N#CSCC(=O)c1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone 
BIP inducer X cpd 
ACMC-1BQ1E 
1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone 
SCHEMBL16428338 
ASIS-0107 
CHEBI:85310 
CTK4A0151 
DTXSID60586532 
BIX, >=98% (HPLC) 
BBL035129 
STL417030 
BIX compound 
Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester (9CI) 
ZINC39096922 
AKOS025118611 
FCH1641843 
BBV-45018861 
EN300-209059 
Q-9115 
1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone 
immunoglobulin heavy-chain binding protein inducer X 
2-(3,4-Dihydroxyphenyl)-2-oxoethyl ester thiocyanic acid 
101714-41-4 
BIX compound 
BIP inducer X cpd 
C527742 
2-(3,4-dihydroxyphenyl)-2-oxoethyl thiocyanate 
BIX 
2-(Cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one 
Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester 
Thiocyanic acid,2-(3,4-dihydroxyphenyl)-2-oxoethyl ester 
BiP inducer X 
Literature

Title: Hepatic Amiodarone Lipotoxicity Is Ameliorated by Genetic and Pharmacological Inhibition of Endoplasmatic Reticulum Stress.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20171001

Title: Post-treatment of a BiP inducer prevents cell death after middle cerebral artery occlusion in mice.

Journal: Neuroscience letters 20101022

Title: [Therapeutic strategies for Alzheimer disease based on endoplasmic reticulum stress].

Journal: Nihon shinkei seishin yakurigaku zasshi = Japanese journal of psychopharmacology 20100801

Title: Regulation of ER molecular chaperone prevents bone loss in a murine model for osteoporosis.

Journal: Journal of bone and mineral metabolism 20100301

Title: The protective effect of a newly developed molecular chaperone-inducer against mouse ischemic acute kidney injury.

Journal: Journal of pharmacological sciences 20090201

Title: Effect of an inducer of BiP, a molecular chaperone, on endoplasmic reticulum (ER) stress-induced retinal cell death.

Journal: Investigative ophthalmology & visual science 20090101

Title: Induction of BiP, an ER-resident protein, prevents the neuronal death induced by transient forebrain ischemia in gerbil.

Journal: Brain research 20080507

Title: A molecular chaperone inducer protects neurons from ER stress.

Journal: Cell death and differentiation 20080201

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