N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1) | CAS No. 480449-71-6

N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1)

Basic Information

CAS Number

480449-71-6

Molecular Formula

C31H38ClN7O7S2

Molecular Weight

720.27 g/mol

AD

Basic Physical Properties

Cc1ccc(cc1)S(=O)(=O)O.CN1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)Nc4ccc(cn4)Cl)C(=O)N(C)C)C1

InChI

InChI=1S/C24H30ClN7O4S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10)/t13-,15-,17+;/m0./s1

InChIKey

ZLFZITWZOYXXAW-QXXZOGQOSA-N

LogP

2.531320000000001

Topological Polar Surface Area

191.0 Ų

Hydrogen Bond Donor/Acceptor

4 / 14

Synonyms & References

English

  • Edoxaban TsOH salt
  • [14C]-Edoxaban tosylate
  • DU-176b
  • Edoxaban (tosylate)
  • Edoxaban (TsOH salt)
  • edoxaban tosilate
  • Edoxaban tosylate
  • N1-(5-chloropyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide
  • tosylate (1:1)

MDL Number

MFCD16038915

FAQ

What regulatory guidelines apply to N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1) (CAS: 480449-71-6)?

This compound is subject to various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA guidelines in the United States. Specific handling, storage, and disposal requirements must be followed based on its classification as a pharmaceutical intermediate.

Are there alternatives to N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1) (CAS: 480449-71-6) in synthesis?

There are alternative reagents that can be used in similar syntheses, such as other pyridine derivatives or thiazole derivatives, which may offer similar functionalities but with different chemical structures. These alternatives should be evaluated based on the specific requirements of the synthesis process.

What is the market or research trend for N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1) (CAS: 480449-71-6)?

Research into this compound is focused on its potential applications in pharmaceuticals and as a synthetic intermediate. Market trends indicate increasing interest in novel pharmaceutical intermediates that can be used in drug development. Future research may explore its efficacy in various therapeutic areas.

How should waste containing N-(5-Chloro-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide 4-methylbenzenesulfonate (1:1) (CAS: 480449-71-6) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Specific environmental protection precautions should be followed to prevent contamination. Safe incineration or chemical degradation methods may be employed, depending on the local regulations and the nature of the waste.

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