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 hydrochloride (1:1) | CAS No. 480448-29-1

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 hydrochloride (1:1)

Basic Information

CAS Number

480448-29-1

Molecular Formula

C24H31Cl2N7O4S

Molecular Weight

584.53 g/mol

AD

Basic Physical Properties

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.Cl

InChI

InChI=1S/C24H30ClN7O4S.ClH/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);1H/t13-,15-,17+;/m0./s1

InChIKey

ZQYCNCZOSSOOQR-QXXZOGQOSA-N

LogP

1.7114

Topological Polar Surface Area

136.63000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 11

Synonyms & References

English

  • Edoxaban HCl salt
  • N-[(1S,2R,4S)-4-carbamoyl-2-[(7-methyl-4,5,6,8-tetrahydropyrido[4,3-e][1,3]thiazine-2-carbonyl)amino]cyclohexyl]-N'-(5-chloropyridin-2-yl)oxamide,hydrochloride
  • N1-(5-Chloro-2-pyridinyl)-N2-[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide hydrochloride
  • Edoxaban hydrochloride

FAQ

What are the physical and chemical properties of 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 hydrochloride (CAS: 480448-29-1)?

This compound is a crystalline solid with a molecular weight of approximately 627.68 g/mol. It has a high solubility in organic solvents such as dimethylformamide and dimethyl sulfoxide. The compound is reactive, particularly towards nucleophiles and bases. It has poor solubility in water. This chemical is stable under normal storage conditions but should be handled with care due to its reactivity.

How is 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 hydrochloride (CAS: 480448-29-1) typically synthesized?

This compound is synthesized through a multi-step process involving the coupling of 5-chloro-2-pyridinecarboxaldehyde with a thiazolo[5,4-c]pyridin-2-ylamine derivative, followed by the addition of dimethylcarbamoyl chloride. The final product is then protonated with hydrochloric acid to form the hydrochloride salt. The reaction conditions include the use of a palladium catalyst and base, with high yield and good selectivity.

What industries use 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 hydrochloride (CAS: 480448-29-1)?

This compound is primarily used in the pharmaceutical industry for its potential therapeutic applications. It is also of interest in the development of new materials, particularly in the field of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 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 hydrochloride (CAS: 480448-29-1)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be carefully cleaned up with appropriate absorbents. Safety data sheets (SDS) should be consulted for detailed information on handling and storage. The compound should be stored in a cool, dry place, away from heat and direct sunlight.

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