Edoxaban

CAT: 0013-GTR19174983-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19174983-01Size:5 mg

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Description

Edoxaban (Lixiana, DU-176b) is a potent, selective, and orally active direct inhibitor of coagulation factor Xa (FXa), exhibiting over 10,000-fold selectivity versus related serine proteases. This small molecule anticoagulant is widely used in research for investigating thrombosis, stroke prevention, and its pharmacological effects in both in vitro enzymatic assays and in vivo disease models.

CAS Number

480449-70-5

Product Name Alternative

Lixiana, Edoxaban, FactorXa, Factor Xa, Thrombin

Field of Research

Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry

Purity

97.67% (May vary between batches)

Solubility

DMSO:2.74 mg/mL (5 mM)

Smiles

N (C (=O) C1=NC2=C (S1) CN (C) CC2) [C@H]3[C@@H] (NC (C (NC4=CC=C (Cl) C=N4) =O) =O) CC[C@H] (C (N (C) C) =O) C3

Molecular Formula

C24H30ClN7O4S

Molecular Weight

548.06

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Edoxaban

Edoxaban is a monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. It has a role as an anticoagulant, a platelet aggregation inhibitor and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It is a monocarboxylic acid amide, a chloropyridine, a thiazolopyridine and a tertiary amino compound. It is a conjugate base of an edoxaban(1+).

CAS Number	480449-70-5
PubChem CID	10280735
IUPAC Name	N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
Molecular Formula	C24H30ClN7O4S
Molecular Weight	548.1
XLogP	1.4
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	880

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C

InChI

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1

InChIKey

HGVDHZBSSITLCT-JLJPHGGASA-N

Chemical Structure

2D Structure

CAS: 480449-70-5

CID: 10280735

Formula: C24H30ClN7O4S

MW: 548.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	548.1
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	547.1768513
Monoisotopic Mass	547.1768513
Topological Polar Surface Area	165 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	880
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-10264-01	Edoxaban

Edoxaban

Chemical Information

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