120512-04-1

Basic information

• Product Name: Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide)
• Synonyms: Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide);Anastrozole Diamide;2,2'-(5-((1H-1,2,4-triazol-1-yl)methyl)-1,3-phenylene)bis(2-methylpropanamide)
• CAS NO: 120512-04-1
• Molecular Formula: C₁₇H₂₃N₅O₂
• Molecular Weight: 329.4
• Mol File: 120512-04-1.mol

Chemical Properties

• Appearance: /
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Slightly), DMSO, Methanol (Slightly)
• CAS DataBase Reference: Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide)(CAS DataBase Reference)
• NIST Chemistry Reference: Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide)(120512-04-1)
• EPA Substance Registry System: Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide)(120512-04-1)

Safety Data

• Hazardous Substances Data: 120512-04-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Anastrozole IMpurity (alfa1, alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide) is used as an antineoplastic agent for the development and improvement of cancer treatments. As a derivative of Anastrozole, it has the potential to inhibit the aromatase enzyme, which is responsible for converting androgens to estrogens. This inhibition can help in the treatment of hormone receptor-positive breast cancer by reducing estrogen levels, thereby limiting the growth of cancer cells.
Additionally, the presence of this impurity in Anastrozole-based medications may require further investigation and quality control measures to ensure the safety and efficacy of the final product. This can involve the development of analytical methods for the detection and quantification of the impurity, as well as the optimization of synthesis processes to minimize its formation.

Relevant articles and documents

PROCESS FOR PREPARING PURE ANASTROZOLE

The present invention discloses two new related substances (6) and (7) of Anastrozole synthesis from Q. A. Salt (5) as in Scheme—1 and purification procedures to get Anastrozole (1) free from (6) and (7).

(SUBSTITUTED ARALKYL) HETEROCYCLIC COMPOUNDS

A (substituted-aralkyl)heterocyclic compound of the formula I wherein R1 is an azido, carbamoyl, cyano, formyl, hy-droxy or nitro radical, a 1-6C 1-hydroxyalkyl, alkoxy, alkylcarbamoyl, alkylthio, alkylsulphinyl or alkylsulphonyl radical, a 2-cyanoethyl radical, optionally bearing one to four 1-6C alkyl substituents, or a 2-6C alkanoyl, halogenoalkanoyl, alkanoyloxy, alkanoylamino, dialkylcarbamoyl or alkoxycarbonyl radical; R2 and R3, which may be the same or different, are each a hydrogen atom, a 1-6C alkyl, dueterioalkyl or halogenoalkyl radical, or a phenyl or phenyl(l-6C alkyl) radical, in each of which the phenyl may optionally bear one or more substituents; or R2 and R3, together with the carbon atom to which they are attached, may form a 3- to 6-membered ring; or R1R2R3C- is a 1,1-dicyanoethyl or trifluoromethylsulphonyl radical; R4 is a hydrogen or halogen atom, a cyano or nitro radical or a 1-6C alkyl or halogenoalkyl radical; R5 has any of the values de-fined above for the group RIR2R3C but is not necessarily the same as R1R2R3C, or has any of the values de-fined above for R4 but is not necessarily the same as R4, or is a carbamoyl, 1-pyrrolidinyl-carbonyl, piperidino-carbonyl, morpholinocarbonyl or nitro radical, a 1-6C alkoxy or halogenoalkoxy radical or a 2-6C alkanoyl or alkoxy-carbonyl radical; A is a methylene or ethylene radical optionally bearing one or more substituents selected from deuterium and halogen atoms, carbamoyl, cyano and hydroxy radicals, 1-6C alkyl and alkoxy radicals, and 2-6C alkanoyloxy radicals provided that when A is linked to R through a nitrogen atom thereof, it may not bear a hydroxy, alkoxy or alkanoyloxy sub-stituent on the carbon atom adjacent to such nitrogen atoms; and R6is a lH-l,2,4-triazol-l-yl, 4H-l,2,4-triazol-4-yl, IH-imidazol-1-yl, 5-cyano-lH-imidazol-l-yl, 3-pyridyl or 5-pyrimidinyl radical, or a IH-imidazol-1-yl radical, bearing at the 5-position thereof a 1-6C alkyl substituent which is itself optionally substituted by one or more carbamoyl, cyano, hydroxy or 2-6C alkoxycar-bonyl radicals; and provided that when R2, R3, R4 and R5 are hydrogen, A is a methylene radical and R6 is a 3-pyridyl radical, R1 is not a cyano, hydroxy or hydroxymethyl radical, and when R1 is a hydroxy radical, R3, R4 and R5 are hydrogen, A is a methylene radical and R6 is 3-pyridyl, R2 is not a methyl or a 2-chloro-1-methylethyl radical, and provided that when R1 is a methoxycarbonyl radical, R2, R3, R4 and R5 are hydrogen and A is a methylene radical, Ri is not a IH-imidazol-a1-yl radical; and the pharmaceutically acceptable acid addition salts thereof