sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks S32826

S32826

CAS No.:
1096770-84-1
Catalog Number:
AG008SSG
Molecular Formula:
C21H36NO4P
Molecular Weight:
397.4886
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$98
- +
5mg
≥98%
1 week
United States
$193
- +
10mg
≥98%
1 week
United States
$307
- +
Product Description
Catalog Number:
AG008SSG
Chemical Name:
S32826
CAS Number:
1096770-84-1
Molecular Formula:
C21H36NO4P
Molecular Weight:
397.4886
MDL Number:
MFCD12761322
IUPAC Name:
[4-(tetradecanoylamino)phenyl]methylphosphonic acid
InChI:
InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)
InChI Key:
OUXAHVRWFHOKHY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)CP(=O)(O)O
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.238g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
397.496g/mol
Monoisotopic Mass:
397.238g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Autotaxin-lysophosphatidic acid axis is a novel molecular target for lowering intraocular pressure. PloS one 20120101
Benzyl and naphthalene methylphosphonic acid inhibitors of autotaxin with anti-invasive and anti-metastatic activity. ChemMedChem 20110502
Autotaxin is induced by TSA through HDAC3 and HDAC7 inhibition and antagonizes the TSA-induced cell apoptosis. Molecular cancer 20110101
Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX). Bioorganic & medicinal chemistry letters 20101201
Inhibition of autotaxin production or activity blocks lysophosphatidylcholine-induced migration of human breast cancer and melanoma cells. Molecular carcinogenesis 20090901
S32826, a nanomolar inhibitor of autotaxin: discovery, synthesis and applications as a pharmacological tool. The Journal of pharmacology and experimental therapeutics 20081201
Properties