BI-2545

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 530982

CAS#: 2162961-71-7

Description: BI-2545 is a highly potent, orally active and selective Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. BI-2545 inhibits ATX in the single-digit nanomolar region and translates into good potency in human whole blood. BI-2545 proved to be stable in human and moderately stable in rat liver microsomes. In vitro, BI-2545 showed high Caco-2 permeability and low efflux. BI-2545 shows an excellent PK/target engagement relationship. It is therefore considered a valuable tool for further in vivo studies.


Price and Availability

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BI-2545 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 530982
Name: BI-2545
CAS#: 2162961-71-7
Chemical Formula: C23H19F6N5O3
Exact Mass: 527.1392
Molecular Weight: 527.4274
Elemental Analysis: C, 52.38; H, 3.63; F, 21.61; N, 13.28; O, 9.10


Synonym: BI-2545; BI 2545; BI2545.

IUPAC/Chemical Name: 3,5-bis(trifluoromethyl)benzyl (1R,5S,6r)-6-((1H-benzo[d][1,2,3]triazole-5-carboxamido)methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChi Key: ZDOBSAPHUUUOHX-BJWYYQGGSA-N

InChi Code: InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16+,17-

SMILES Code: O=C(N1C[C@]2([H])[C@H](CNC(C3=CC=C(NN=N4)C4=C3)=O)[C@]2([H])C1)OCC5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5


Technical Data

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).

Harmonized System Code:
293490


Additional Information

Patients with IPF have elevated levels of lysophosphatidic acid (LPA) in their bronchoalveolar lavage fluid (BALF) and exhaled breath condensate.7,8 LPAs are bioactive lysophospholipids that exert a variety of cellular responses including cell proliferation, cell motility and cell survival through their interaction with six Gprotein-coupled receptors (GPCRs) known as LPAR1


References

Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo
Christian A. Kuttruff, Marco Ferrara, Tom Bretschneider, Stefan Hoerer, Sandra Handschuh, Bernd Nosse, Helmut Romig, Paul Nicklin, and Gerald J. Roth Publication Date (Web): November 8, 2017 (Letter). DOI: 10.1021/acsmedchemlett.7b00312