1253955-19-9

Basic information

• Product Name: (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
• Synonyms: (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
• CAS NO: 1253955-19-9
• Molecular Weight: 553.658
• Mol File: 1253955-19-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 780.8±60.0 °C(Predicted)
• Density: 1.219±0.06 g/cm3(Predicted)
• CAS DataBase Reference: (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate(1253955-19-9)
• EPA Substance Registry System: (S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate(1253955-19-9)

Safety Data

• Hazardous Substances Data: 1253955-19-9(Hazardous Substances Data)

Usage

General Description

(S)-4-(3-((tert-butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate is a complex chemical compound that contains multiple functional groups and substituents. It consists of a benzyl group attached to a 2,4-dimethylbenzoate moiety, with an additional 1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl group and a (tert-butoxycarbonyl)amino group. The compound is a synthetic organic molecule and is likely used for research or pharmaceutical purposes due to its complex structure and specific functional groups that can potentially be targeted for specific biological activities. It may also have potential applications in medicinal chemistry or drug development due to its unique structure and potential pharmacological properties.

Upstream product

• 611-01-8 2,4-dimethyl-benzoic acid 
• 305860-41-7 tert-butyl ((1H-benzo[d][1,2,3 ]triazol-1-yl)methyl)carbamate 
• 155380-11-3 methyl 4-(hydroxymethyl)phenylacetate 
• 73401-74-8 4-hydroxymethylphenylacetic acid 
• 4248-19-5 tert-butyl carbazate 
• 23687-26-5 6-isoquinolinamine 

Relevant articles and documents

Preparation method of netarsudil mesylate

The invention relates to a preparation method of netarsudil mesylate.Netarsudil mesylate is synthesized by utilizing chiral induction, and compared with an existing chiral HPLC method or SFC method, netarsudil mesylate prepared by adopting a chemical synt

Asymmetric Synthesis of Netarsudil: A New Therapeutic for Open-Angle Glaucoma

The asymmetric synthesis of a Rho kinase/norepinephrine transport inhibitor, netarsudil, the active component in the recently FDA-approved product Rhopressa, is described herein. This concise six-step synthetic route utilizes the 2,4-dimethylbenzoate ester of a phenylacetic acid as the backbone of the β-amino acid's framework. A chiral enolate of the Evans auxiliary, (R)-4-benzyloxazolidin-2-one, is used to direct the formation of the (S)-stereocenter by incorporating the N -Boc-protected β-amino methyl arm with high diastereoselectivity (96:4 dr) using N -Boc-1-aminomethylbenzotriazole as the electrophile. Uniquely, 2,2,2-trichloro-1,1-dimethylethyl chloroformate is used as a non-racemizing activating agent for the coupling reaction between the chiral (S)- N -Boc-protected 2,4-dimethylbenzoyloxymethyl phenyl propanoic acid and 6-aminoisoquinoline to provide N -Boc-protected netarsudil in good yield and excellent enantiomeric purity (63%, 98% ee). Final acidic deprotection and recrystallization provides netarsudil (>99% ee), an ophthalmic agent used for the treatment of patients with open-angle glaucoma.

Process for the preparation of kinase inhibitors and intermediates thereof

Described are processes for the synthesis of certain compounds, useful for treating diseases, e.g. eye disease, such as glaucoma and ocular hypertension, in a subject.