WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530383
Description: HA155, also known as Autotaxin Inhibitor IV, is a boronic acid-based compound that inhibits autotaxin (IC50 = 5.7 nM) by selectively binding to its catalytic threonine.
MedKoo Cat#: 530383
Chemical Formula: C24H19BFNO5S
Exact Mass: 463.1061
Molecular Weight: 463.2864
Elemental Analysis: C, 62.22; H, 4.13; B, 2.33; F, 4.10; N, 3.02; O, 17.27; S, 6.92
Related CAS #: 1312201-00-5
Synonym: HA155; HA-155; HA 155. Autotaxin Inhibitor IV.
IUPAC/Chemical Name: B-[4-[[4-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-5-thiazolidinylidene]methyl]phenoxy]methyl]phenyl]-boronic acid
InChi Key: BRWUZCBSWABPMR-XKZIYDEJSA-N
InChi Code: InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
SMILES Code: OB(C1=CC=C(COC2=CC=C(/C=C(SC(N3CC4=CC=C(F)C=C4)=O)/C3=O)C=C2)C=C1)O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 463.2864 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Katsamakas S, Papadopoulos AG, Hadjipavlou-Litina D. Boronic Acid Group: A
Cumbersome False Negative Case in the Process of Drug Design. Molecules. 2016 Sep
7;21(9). pii: E1185. doi: 10.3390/molecules21091185. PubMed PMID: 27617984.
2: Albers HM, Hendrickx LJ, van Tol RJ, Hausmann J, Perrakis A, Ovaa H.
Structure-based design of novel boronic acid-based inhibitors of autotaxin. J Med
Chem. 2011 Jul 14;54(13):4619-26. doi: 10.1021/jm200310q. PubMed PMID: 21615078;
PubMed Central PMCID: PMC3131786.