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FX-11

CAS No.:
213971-34-7
Catalog Number:
AG00C2PR
Molecular Formula:
C22H22O4
Molecular Weight:
350.4077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$223
- +
10mg
98%
1 week
United States
$321
- +
50mg
98%
1 week
United States
$1237
- +
100mg
98%
1 week
United States
$2210
- +
Product Description
Catalog Number:
AG00C2PR
Chemical Name:
FX-11
CAS Number:
213971-34-7
Molecular Formula:
C22H22O4
Molecular Weight:
350.4077
MDL Number:
MFCD22572764
IUPAC Name:
7-benzyl-2,3-dihydroxy-6-methyl-4-propylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)
InChI Key:
LVPYVYFMCKYFCZ-UHFFFAOYSA-N
SMILES:
CCCc1c(O)c(O)c(c2c1cc(C)c(c2)Cc1ccccc1)C(=O)O
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.152g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
350.414g/mol
Monoisotopic Mass:
350.152g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Literature
Title Journal
Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation. Journal of medicinal chemistry 20120412
Synthesis of sulfonamide-containing N-hydroxyindole-2-carboxylates as inhibitors of human lactate dehydrogenase-isoform 5. Bioorganic & medicinal chemistry letters 20111215
N-Hydroxyindole-based inhibitors of lactate dehydrogenase against cancer cell proliferation. European journal of medicinal chemistry 20111101
Discovery of N-hydroxyindole-based inhibitors of human lactate dehydrogenase isoform A (LDH-A) as starvation agents against cancer cells. Journal of medicinal chemistry 20110324
Properties