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Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester is a methyl ester derivative of 4-(1-aminocyclopropyl)benzoic acid, a type of cyclopropylamine. It is a chemical compound with potential pharmacological activity, particularly as a dopamine receptor agonist. Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester is of interest in medicinal chemistry and has been studied for its potential use in treating central nervous system disorders.

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  • 1006037-03-1 Structure
  • Basic information

    1. Product Name: Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester
    2. Synonyms: Methyl 4-(1-aMinocyclopropyl)benzoate hydrochloride;4-(1-AMinocyclopropyl)benzoic acid Methyl ester hydrochloride;4-(1-Amino-cyclopropyl)-benzoic acid methyl ester;Methyl 4-(1-aminocyclopropyl)benzoate;Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester;METHYL 4-(AMINOCYCLOPROPYL)BENZOATE
    3. CAS NO:1006037-03-1
    4. Molecular Formula: C11H13NO2
    5. Molecular Weight: 191.22642
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1006037-03-1.mol
  • Chemical Properties

    1. Melting Point: 49.6-50.4 °C
    2. Boiling Point: 297.5±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.185±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 7.38±0.20(Predicted)
    10. CAS DataBase Reference: Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester(1006037-03-1)
    12. EPA Substance Registry System: Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester(1006037-03-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1006037-03-1(Hazardous Substances Data)

1006037-03-1 Usage

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester is used as a pharmaceutical compound for its potential pharmacological activity. Its structure and properties make it a useful tool in drug discovery and development.
Used in Central Nervous System Disorders Treatment:
In the field of neurology, Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester is used as a potential treatment for central nervous system disorders. It has been studied for its potential efficacy in managing conditions such as Parkinson's disease and schizophrenia, where its action as a dopamine receptor agonist may provide therapeutic benefits.
Used in Drug Discovery and Development:
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester serves as a valuable asset in drug discovery and development due to its unique chemical structure and potential interactions with biological targets. Its exploration in medicinal chemistry aids in the advancement of new therapeutic agents for various conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 1006037-03-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,6,0,3 and 7 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1006037-03:
(9*1)+(8*0)+(7*0)+(6*6)+(5*0)+(4*3)+(3*7)+(2*0)+(1*3)=81
81 % 10 = 1
So 1006037-03-1 is a valid CAS Registry Number.

1006037-03-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-(1-aminocyclopropyl)benzoate

1.2 Other means of identification

Product number -
Other names 4-(1-Aminocyclopropyl)anisole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1006037-03-1 SDS

1006037-03-1Relevant articles and documents

PHARMACEUTICAL COMPOSITION

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Page/Page column 39, (2012/04/10)

The present invention provides compounds of Formula (I): along with pharmaceutical compositions containing the same, and methods of use thereof in subjects in need of treatment.

The discovery of 4-{l-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]- 3thienyl}carbonyl)amino]cyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin e2 subtype 4 receptor antagonist

Blouin, Marc,Han, Yongxin,Burch, Jason,Farand, Julie,Mellon, Christophe,Gaudreault, Mireille,Wrona, Mark,Lévesque, Jean-Fran?ois,Denis, Danielle,Mathieu, Marie-Claude,Stocco, Rino,Vigneault, Erika,Therien, Alex,Clark, Patsy,Rowland, Steve,Xu, Daigen,o'Neill, Gary,Ducharme, Yves,Friesen, Rick

experimental part, p. 2227 - 2238 (2010/08/21)

The discovery of highly potent and selective second generation EP4 antagonist MK-2894 (34d) is discussed. This compound exhibits favorable pharmacokinetic profile in a number of preclinical species and potent anti-inflammatory activity in several animal models of pain/inflammation. It also shows favorable GI tolerability profile in rats when compared to traditional NSAID indomethacin.

Scalable synthesis of a prostaglandin EP4 receptor antagonist

Gauvreau, Danny,Dolman, Sarah J.,Hughes, Greg,Oshea, Paul D.,Davies, Ian W.

supporting information; experimental part, p. 4078 - 4085 (2010/08/22)

The evolution of scalable, economically viable synthetic approaches to the potent and selective prostaglandin EP4 antagonist 1 is presented. The chromatography-free synthesis of multikilogram quantities of 1 using a seven-step sequence (six in the longest

PROCESS FOR MAKING INDOLE CYCLOPROPYL AMIDE DERIVATIVES

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Page/Page column 9; 15, (2010/11/05)

An efficient and economical process for synthesizing kilogram quantities of an indole cyclopropyl amide derivative of Formula (I), or a pharmaceutically acceptable salt thereof, is disclosed. The process comprises the coupling of indolecarboxylic acid der

PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVE

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Page/Page column 13; 15, (2009/04/25)

The invention encompasses a process for making a thiophene carboxamide derivative, which is an EP4 antagonist useful for treating pain and inflammation.

THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS

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Page/Page column 71-72, (2008/06/13)

The invention is directed to thiophenecarboxamide derivatives of formulae I and II as EP4 receptor ligands, antagonists or agonists, useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoi

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