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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

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About This Item

Empirical Formula (Hill Notation):
C23H22ClN5O3
CAS Number:
330942-05-7
Molecular Weight:
451.91
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD16038040
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

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

Biochem/physiol Actions

Betrixaban is an orally active, active site-targeting, highly potent and selective factor Xa (fXa) inhibitor (IC50 = 1.5 nM; Ki = 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.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Warning

Hazard Codes

H302,H373

Precautionary Statements

P301 + P312 + P330 - P314

Hazard Classifications

Acute Tox. 4 Oral - STOT RE 2

Target Organs

Blood

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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