HA155
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MedKoo CAT#: 530383

CAS#: 1229652-22-5

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.


Chemical Structure

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HA155
CAS# 1229652-22-5

Theoretical Analysis

MedKoo Cat#: 530383
Name: HA155
CAS#: 1229652-22-5
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

Price and Availability

Size Price Availability Quantity
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1450.0 2 Weeks
500.0mg USD 2450.0 2 Weeks
1.0g USD 3450.0 2 Weeks
2.0g USD 5450.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.

HA155

25.0mg / USD 350.0