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SML2255

BI-2545

≥98% (HPLC)

Synonym(s):

(1R,5S,6S)-3,5-bis(Trifluoromethyl)benzyl 6-((1H-benzo[d][1,2,3]triazole-5-carboxamido)methyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, [3,5-bis(Trifluoromethyl)phenyl]methyl (1R,5S,6S)-6-{[(1H-1,2,3-benzotriazol-5-yl)formamido]methyl}-3-azabicyclo[3.1.0]hexane-3-carboxylate

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5 mg

Available to ship TODAYfromMILWAUKEE

$90.30
$76.75

About This Item

Empirical Formula (Hill Notation):
C23H19F6N5O3
CAS Number:
2162961-71-7
Molecular Weight:
527.42
UNSPSC Code:
41106609
NACRES:
NA.21
Assay:
≥98% (HPLC)
Form:
powder

$76.75

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assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

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

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+

InChI key

ZDOBSAPHUUUOHX-OSYLJGHBSA-N

Biochem/physiol Actions

Autotaxin (ATX; ENPP2) inhibitor with improved potency, oral availability, and lysophosphatidic acid (LPA)-lowering efficacy in rats than PF-8380.
BI-2545 is a PF-8380 structure analog with improved autotaxin (ATX; ENPP2) inhibitory potency (human/rat ATX IC50 = 2.2/3.4 nM, IC50 = 29/96 nM using human/rat whole blood (WB); human ATX/rat ATX/rat WB IC50 = 6.5/13/307 nM with PF-8380), in vivo pharmacokinetic profile, oral availability, and lysophosphatidic acid (LPA)-lowering efficacy (BI-2545 Cmax/AUC/T1/2/Max 18:2 LPA reduction = 140 nM/675 nM•h/3.4 h/90.4% post 10 mg/kg p.o. in rats vs. 60.3 nM/342 nM•h/2.5 h/32.2% with PF-8380). BI-2545 exhibits no hERG inhibitory activity (IC50 >10 μM vs. 480 nM with PF-8380) and displays significant cross-reactivity towards only 4 targets among a panel of 48 enzymes/receptors/transporters/channel proteins at a high concentration of 10 μM (55%, 80%, 66%, 61% inhibtion of 5-HT2a, L-type Calcium channel, Na+ channel site 2, and norepinephrine transporter, respectively).

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BI-2545 ≥98% (HPLC)

Sigma-Aldrich

SML2255

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FTBMT ≥98% (HPLC)

Sigma-Aldrich

SML2242

FTBMT

Aprepitant ≥98% (HPLC)

Sigma-Aldrich

SML2215

Aprepitant

AZ-MTAB ≥98% (HPLC)

Sigma-Aldrich

SML0242

AZ-MTAB

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

form

powder

form

powder

form

powder

form

powder

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

−20°C

storage temp.

2-8°C

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: ≥5 mg/mL at warmed to 60 °C

color

white to beige

color

white to beige

color

white to beige

color

white to beige

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000053825
0000053823
0000044979

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Christian A Kuttruff et al.
ACS medicinal chemistry letters, 8(12), 1252-1257 (2017-12-21)
In an effort to find new therapeutic interventions addressing the unmet medical need of patients with idiopathic pulmonary fibrosis, we initiated a program to identify new autotaxin (ATX) inhibitors. Starting from a recently published compound (PF-8380), we identified several highly

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