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Letaxaban

CAT: 1410-M16321-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16321-02Size:5 mg
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Description
Letaxaban (TAK-442, TAK442) is a potent, selective and direct factor Xa (FXa) inhibitor with Ki of 1.8 nM for hFXa.
CAS Number
870262-90-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
479.98
Molecular Formula
C22H26ClN3O5S
Notes
Research use only, not for human use.
Receptor
Factor Xa

Chemical Information

Letaxaban

Letaxaban has been used in trials studying the treatment and prevention of Venous Thromboembolism and Acute Coronary Syndrome.

CAS Number870262-90-1
PubChem CID11641515
IUPAC Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-diazinan-2-one
Molecular FormulaC22H26ClN3O5S
Molecular Weight480.0
XLogP1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity796
SMILES
C1CNC(=O)N(C1)C2CCN(CC2)C(=O)[C@@H](CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O
InChI
InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
InChIKey
GEHAEMCVKDPMKO-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Letaxaban
CAS: 870262-90-1
CID: 11641515
Formula: C22H26ClN3O5S
MW: 480.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.0
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass479.1281698
Monoisotopic Mass479.1281698
Topological Polar Surface Area115 Ų
Heavy Atom Count32
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP03872-01Letaxaban
sc-495655Letaxaban-d5
MBS387472-01Letaxaban (TAK-442)
A12871-100Letaxaban (TAK-442) 100mg
A12871-1Letaxaban (TAK-442) 1mg
A12871-25Letaxaban (TAK-442) 25mg
A12871-50Letaxaban (TAK-442) 50mg
A12871-10Letaxaban (TAK-442) 10mg
A12871-5Letaxaban (TAK-442) 5mg

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