78852-98-9

Basic information

• Product Name: (2E)-7-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid
• CAS NO: 78852-98-9
• Molecular Formula: C₁₆H₂₆N₂O₅S
• Molecular Weight: 358.453
• Mol File: 78852-98-9.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 655.5°C at 760 mmHg
• Flash Point: 350.2°C
• Density: 1.275g/cm³
• Vapor Pressure: 7.13E-19mmHg at 25°C
• Refractive Index: 1.569
• CAS DataBase Reference: (2E)-7-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-7-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid(78852-98-9)
• EPA Substance Registry System: (2E)-7-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid(78852-98-9)

Safety Data

• Hazardous Substances Data: 78852-98-9(Hazardous Substances Data)

Upstream product

• 52-90-4 L-Cysteine 
• 166037-21-4 (Z)-7-chloro-2-(2,2-dimethylcyclopropylcarbonyl)amino-2-heptenoic acid 
• 111-24-0 1,5-dibromo-pentane 
• 75885-59-5 2,2-dimethylcyclopropane-1-carboxylic acid 
• 877674-77-6 (Z)-7-chloro-2 ((2s)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid 
• 166037-21-4 (E)-7-chloro-2[[(1S)-2,2-dimethyl cyclopropane]carboxamide]-2-heptenoic acid 
• 78834-75-0 ethyl-7-Chloro-2-oxoheptanoate 
• 52-89-1 l-cysteine hydrochloride 
• 75885-58-4 (S)-2,2-dimethylcyclopropanecarboxamide 
• 107871-21-6 (+)-N-<<(2,2-dimethylcyclopropyl)carbonyl>oxy>succinimide 
• 107871-16-9 2-(5-Bromo-pentyl)-[1,3]dithiane-2-carboxylic acid ethyl ester 
• 107871-17-0 ethyl 7-bromo-2-oxoheptenoate 
• 107872-93-5 7-bromo-2-oxoheptanoic acid 
• 14590-53-5 (+)-1S-2,2-dimethylcyclopropane-carboxylic acid 

Relevant articles and documents

Preparation method of cilastatin sodium active pharmaceutical ingredient

The invention provides a preparation method of a cilastatin sodium active pharmaceutical ingredient. The preparation method comprises the following steps: (1) mixing alkali and reaction solvent, adding a compound (Z)-7-chloro-2-((S)-2,2-dimethylcyclopropylformacyl)-2-heptenoic acid shown in Formula (V), then adding cysteine hydrochloride, reacting to obtain a reaction solution containing a compound cilastatin shown in Formula (VI); (2) purifying the reaction solution obtained in the step (1) through macroporous adsorption resin to obtain the compound cilastatin shown in Formula (VI); and (3) mixing sodium hydroxide and water, adding the cilastatin obtained in the step (2), regulating the pH value, and drying to obtain the compound cilastatin sodium shown in Formula (I). The preparation method is quick, efficient and suitable for industrial production; and the obtained cilastatin sodium active pharmaceutical ingredient is low in impurity content.

A Cilastatin ding Gai the crystal and its preparation method and application

The invention discloses a cilastatin calcium crystal, a preparation method and an application thereof. Under X-ray powder diffraction, the cilastatin calcium crystal has main characteristic peaks at positions with 2[theta] being 5.2+/-0.1 degree, 10.3+/-0.1 degree, 15.9+/-0.1 degree, 18.9+/-0.1 degree, 20.7+/-0.1 degree and 22.4+/-0.1 degree. The preparation method of the cilastatin calcium crystal includes following steps: (1) adding calcium chloride to an aqueous solution containing cilastatin or/and cilastatin salt; (2) regulating the pH value to 5-9 with an inorganic acid or an inorganic alkali; (3) adding an organic solvent which is mix-dissolvable with water to the system to perform stir-crystallization; and (4) filtering and drying an obtained crystal. By means of the cilastatin calcium crystal provided in the invention, cilastatin sodium being higher than 99.0% in HPLC purity can be conveniently prepared. The preparation method is simple in operation, is high in yield, is easy to carry out in large scale, and can provide an effective approach for preparing the cilastatin sodium being high in purity and stable in quality industrially in large scale.

PROCESS FOR THE PREPARATION OF CILASTATIN SODIUM

The present invention relates to an improved process for the preparation of Cilastatin Sodium of formula (I), having mesityl oxide content less than 2000 ppm and more than 1 ppm. (Formula I) (I)