CAS 1255529-25-9

N1-(5-Chloro-2-pyridinyl)-N2-[(1R,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide

Description:

The chemical substance known as N1-(5-Chloro-2-pyridinyl)-N2-[(1R,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide, with CAS number 1255529-25-9, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including amides and a chloro-substituted pyridine ring, which contribute to its potential biological activity. The presence of a thiazolo-pyridine moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (1R,2S,4S) configuration implies specific spatial arrangements that can influence the compound's pharmacological properties. Additionally, the dimethylamino and carbonyl groups may enhance solubility and reactivity. Overall, this compound's unique structural features position it as a candidate for further research, particularly in the context of drug development and therapeutic applications.

Formula: C₂₄H₃₀ClN₇O₄S

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

InChI key: InChIKey=HGVDHZBSSITLCT-LXZKKBNFSA-N

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

Synonyms:

• N1-(5-Chloro-2-pyridinyl)-N2-[(1R,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide
• Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(1R,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]-
• N-(5-Chloropyridin-2-yl)-N′-[(1R,2S,4S)-4-[(dimethylamino)carbonyl]-2-[[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide

Ethanediamide, n1-(5-chloro-2-pyridinyl)-n2-[(1r,2s,4s)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]-

CAS: 1255529-25-9

Formula: C₂₄H₃₀ClN₇O₄S

Molecular weight: 548.0575

Ref: IN-DA000NTL

Edoxaban Impurity 10 (1R,2S,4S)

CAS: 1255529-25-9

Formula: C₂₄H₃₀ClN₇O₄S

Color and Shape: Off-White Solid

Molecular weight: 548.06

Ref: 4Z-E-080015

N1-(5-chloropyridin-2-yl)-N2-((1R,2S,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

Controlled Product

CAS: 1255529-25-9

Applications N1-(5-chloropyridin-2-yl)-N2-((1R,2S,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide is a diastereomer of Edoxaban (E555520), an anticoagulant drug which acts as a direct factor Xa inhibitor. N1-(5-chloropyridin-2-yl)-N2-((1R,2S,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide can be used as a pharmceutical standard for detecting impurities in drugs.
References Yoshino, T., et al.: U.S. Pat. Appl. Publ. US 20120053349 A1 20120301 (2012); Yoshino, T., et al.: PCT Int. Appl. (2010), WO 2010131663 A1 20101118 (2010); Ruff, C., et al.: Am. Heart J., 160, 635 (2010); Ogata, K., et al.: J. Clin. Pharm., 50, 73 (2010)

Formula: C₂₄H₃₀ClN₇O₄S

Color and Shape: Neat

Molecular weight: 548.058

Ref: TR-C381195

Mixture of Edoxaban (RSS)-Isomer and Edoxaban (SRR)- Isomer

CAS: 1255529-25-9, 1255529-26-0

Formula: C₂₄H₃₀ClN₇O₄SC₂₄H₃₀ClN₇O₄S

Molecular weight: 548.06 + 548.06

Ref: ST-EA-CP-E8180

Edoxaban (RSS)-Isomer

CAS: 1255529-25-9

Formula: C₂₄H₃₀ClN₇O₄S

Molecular weight: 548.06

Ref: ST-EA-CP-E8027