SML2845

Betrixaban

≥98% (HPLC)

• Synonym(s): MK-4448, MLN1021, N-(5-Chloro-2-pyridinyl)-2-[[4-[(dimethylamino)iminomethyl]benzoyl]amino]-5-methoxybenzamide, N-(5-Chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, PRT-054021, PRT054021
• Empirical Formula (Hill Notation): C₂₃H₂₂ClN₅O₃
• CAS Number: 330942-05-7
• Molecular Weight: 451.91
• MDL number: MFCD16038040
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: ClC1=CN=C(C=C1)NC(C2=C(NC(C3=CC=C(C(N(C)C)=N)C=C3)=O)C=CC(OC)=C2)=O
• InChI: 1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
• InChI key: XHOLNRLADUSQLD-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Betrixaban is an orally active, active site-targeting, highly potent and selective factor Xa (fXa) inhibitor (IC₅₀ = 1.5 nM; K_i = 117 pM) with much reduced plasma kallikrein inhibitory activity (IC₅₀ = 6.3 μM) and little potency against thrombin, trypsin, t-PA, aPC or plasmin inhibition (IC₅₀ >10 μM). Betrixaban exhibits good pharmacokinetic properties and anticoagulant efficacy against various thromboembolism (VTE) events in vivo.

Orally active, active site-targeting, highly potent and selective factor Xa (fXa) inhibitor with anticoagulant efficacy against thromboembolism (VTE) events in vivo.

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Warning
• Hazard Statements: H302,H373
• Precautionary Statements: P301 + P312 + P330 - P314
• Hazard Classifications: Acute Tox. 4 Oral - STOT RE 2
• Target Organs: Blood
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable