Letaxaban

Base Information

Chemical Name:Letaxaban
CAS No.:870262-90-1
Molecular Formula:C₂₂H₂₆ClN₃O₅S
Molecular Weight:479.985
Hs Code.:
UNII:Y3WB03966W
ChEMBL ID:CHEMBL1095032
Metabolomics Workbench ID:153052
NCI Thesaurus Code:C96541
Nikkaji Number:J2.801.265I
Wikidata:Q27294227

Synonyms:1-(1-(3-((6-chloronaphthalen-2-yl)sulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)tetrahydropyrimidin-2(1H)-one;TAK 442;TAK-442;TAK442

Suppliers and Price of Letaxaban

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Letaxaban
2.5mg
$ 6325.00

Medical Isotopes, Inc.
Letaxaban
10 mg
$ 10750.00

Total 9 raw suppliers

Chemical Property of Letaxaban

Chemical Property:

Melting Point:173-174 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:824.5±65.0 °C(Predicted)
PKA:12.22±0.20(Predicted)
PSA：118.89000
Density:1.415±0.06 g/cm3(Predicted)
LogP:2.63070
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:479.1281698
Heavy Atom Count:32
Complexity:796

Purity/Quality:

98% ^*data from raw suppliers

Letaxaban ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC(=O)N(C1)C2CCN(CC2)C(=O)C(CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O
Isomeric 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
Recent ClinicalTrials:Efficacy and Safety of TAK-442 in Subjects Undergoing Total Knee Replacement
Recent EU Clinical Trials:A Phase 2, Double-blind, Randomized, Placebo-controlled Study of the Safety and Efficacy of TAK-442 in Subjects With Acute Coronary Syndromes
Uses A potent and selective orally active factor Xa (FXa) inhibitor; anticoagulant. Effective in preventing venous thromboembolism in patient undergoing orthopedic surgery.

Technology Process of Letaxaban

There total 2 articles about Letaxaban which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

: 870262-90-1
(R,S)-1-(1-{3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one

Guidance literature:

Reference yield: 15.0%

: 701299-82-3
(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoic acid

: 61220-36-8
4-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)piperidine

: 870262-90-1
1-(1-{(2S)-3-[(6-chloro-2-naphthyl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 15h;
DOI:10.1021/jm901699j