1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Names and Identifiers

Name	Anastrozole
Synonyms	ZD-1033 Arimidex ICI-D-1033 Anatrozole Anastrozol Anastrozole 120511-73-1 ANASTRAZOLE ZD-1033, ICI-D-1033, Arimidex 1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE tetramethyl-5-(1h-1,2,4-triazol-1ylmethyl) 1,3-benzenediacetionitrile Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetionitrile 1,3-Benzenediacetonitrile,a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl) 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile) 2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile 1,3-benzenediacetonitrile,alpha,alpha,alpha',alpha'-tetramethyl-5-(1h-1,2,4-triazol-1-ylmethyl)- 1,3-benzenediacetonitrile, alpha,alpha,alpha',alpha'-tetramethyl- 5-(1h-1,2,4-triazol-1-ylmethyl)- zd
CAS	120511-73-1
InChI	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Physico-chemical Properties

Molecular Formula	C17H19N5
Density	1.08±0.1 g/cm3(Predicted)
Melting Point	81-82 °C
Boling Point	469.7±55.0 °C(Predicted)
Solubility	Soluble in chloroform, methanol, ethanol (59 mg/ml at 25 °C), DMSO (59 mg/ml at 25°C
Appearance	Crystallization
pKa	2.62±0.10(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.791
Physical and Chemical Properties	white or off-white crystalline powder. melting point 81-82°C
Use	Potent Selective triazole aromatase inhibitors that inhibit the aromatase enzyme on which cytochrome P-450 depends, thereby blocking the biosynthesis of estrogen, a major factor in stimulating the growth of breast cancer cells. The treatment of breast cancer is particularly indicated for advanced breast cancer in post-menopausal women who relapse after adjuvant hormone therapy.

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Reference

Reference

1. Zhang, Yuzhu, et al. "Effects of psoralen on the pharmacokinetics of anastrozole in rats." Pharmaceutical biology 56.1 (2018): 433-439.https://doi.org/10.1080/13880209.2018.1501584
2. [IF=3.503] Yuzhu Zhang et al."Effects of psoralen on the pharmacokinetics of anastrozole in rats."Pharm Biol. 2018;56(1):433-439

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Standard

Authoritative Data Verified Data

This product is a + a,a' + a'-tetramethyl-5-(1H-1,2, 4-triazinylmethyl) -1, 3-benzene diacetonitrile. Calculated as dried product, the content of C17H19N5 shall not be less than 98.5%.

Last Update：2024-01-02 23:10:35

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Trait

Authoritative Data Verified Data

This product is white or off-white crystalline powder; Odorless.
This product is soluble in acetonitrile or ethyl acetate, soluble in ethanol, almost insoluble in water.

melting point

The melting point of this product (General 0612) is 81~84 ℃.

Last Update：2022-01-01 12:00:18

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Differential diagnosis

Authoritative Data Verified Data

take about 5mg of this product, put it in a dry test tube, add about 50mg of malonic acid and 2ml of acetic anhydride, and heat it in a water bath at 85-95 ℃ for 10 minutes.
take this product and the Anastrozole reference product, add about 5ml of acetonitrile to dissolve, dilute with mobile phase to prepare solution containing about 10ug per 1 ml, and test according to the method under related substances, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the control solution.
The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 1151).

Last Update：2022-01-01 12:00:19

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Exam

Authoritative Data Verified Data

Related substances

take this product, add about 5ml of acetonitrile to dissolve, dilute with mobile phase to make a solution containing about 100ug per 1 ml as a test solution; Take 1 ml for precision measurement and put it in a 100ml measuring flask, dilute to the scale with the mobile phase, shake, and serve as a control solution. According to high performance liquid chromatography (General 0512), silica gel bonded with eighteen alkyl silane was used as filler; Acetonitrile-water (45:55) was used as mobile phase; The detection wavelength was 210mn. The theoretical plate number is not less than 2500 based on the Anastrozole peak. 20 u1 of the test solution and the control solution were respectively injected into the human liquid chromatograph, and the chromatogram was recorded to 2 times of the retention time of the main component peak. If there are impurity peaks in the chromatogram of the test solution, the area of a single impurity peak shall not be greater than 0.5 times (0.5%) of the area of the main peak of the control solution, the sum of each impurity peak area shall not be greater than the main peak area of the control solution (1.0%).

cyanide

take this product l. After adding 10ml of ethyl acetate to dissolve, add 15ml of water to extract. The water layer shall be inspected according to the cyanide inspection method (General rule 0806 method 1), starting from "adding 10% tartaric acid solution to 3ml, do not show blue or green.

loss on drying

take this product, at 60°C under reduced pressure drying to constant weight, weight loss should not exceed 0.5% (General rule 0831).

ignition residue

take l.Og of this product and check it according to law (General rule 0841). The residue left shall not exceed 0.1%.

Heavy metals

The residue left under the item of taking the ignition residue shall not contain more than 20 parts per million of heavy metal when examined by law (General rule 0821, Law II).

Last Update：2022-01-01 12:00:20

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Content determination

Authoritative Data Verified Data

take this product about 0.23g, precision weighing, add glacial acetic acid 30ml to dissolve, add crystal violet indicator solution 1 drop, with perchloric acid titration solution (0.1 mol/L) was titrated to green and the results of the titration were corrected with a blank test. Each 1 ml of perchloric acid titration solution (0.1 mol/L) corresponds to 29.34mg of C17H19N5.

Last Update：2022-01-01 12:00:20

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Category

Authoritative Data Verified Data

antineoplastic agents.

Last Update：2022-01-01 12:00:20

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Storage

Authoritative Data Verified Data

sealed storage.

Last Update：2022-01-01 12:00:21

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE

Shanghai Worldyang Chemical Co.,Ltd.

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE

Anastrozole

CAS: 120511-73-1

Molecular Formula: C17H19N5

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Names and Identifiers

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Physico-chemical Properties

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Reference

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Standard

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Trait

Authoritative Data Verified Data

melting point

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Differential diagnosis

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Exam

Authoritative Data Verified Data

Related substances

cyanide

loss on drying

ignition residue

Heavy metals

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Content determination

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Category

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Storage

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Supplier List

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE Request for Quotation

Anastrozole

CAS: 120511-73-1

Molecular Formula: C17H19N5

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Names and Identifiers

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Physico-chemical Properties

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Reference

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Standard

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Trait

Authoritative Data Verified Data

melting point

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Differential diagnosis

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Exam

Authoritative Data Verified Data

Related substances

cyanide

loss on drying

ignition residue

Heavy metals

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Content determination

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Category

Authoritative Data Verified Data

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE - Storage

Authoritative Data Verified Data

Supplier List

1-[3,5-DI-(1-METHYL-1-CYANO)-ETHYL]-BENZYL-1,2,4-TRIAZOLE