67316-43-2

Basic information

• Product Name: CHEMBRDG-BB 4015094
• Synonyms: CHEMBRDG-BB 4015094;2-CHLORO-5-FLUORO-N-METHYLPYRIMIDIN-4-AMINE;2-chloro-5-fluoro-N-methylpyrimidin-4-amine(SALTDATA: FREE);(2-chloro-5-fluoro-pyrimidin-4-yl)-methyl-amine;2-chloro-5-fluoro-N-methyl-4-pyrimidinamine
• CAS NO: 67316-43-2
• Molecular Formula: C₅H₅ClFN₃
• Molecular Weight: 161.57
• Mol File: 67316-43-2.mol

Chemical Properties

• Boiling Point: 306.6°C at 760 mmHg
• Flash Point: 139.3°C
• Appearance: /
• Density: 1.448g/cm³
• Vapor Pressure: 0.000762mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: CHEMBRDG-BB 4015094(CAS DataBase Reference)
• NIST Chemistry Reference: CHEMBRDG-BB 4015094(67316-43-2)
• EPA Substance Registry System: CHEMBRDG-BB 4015094(67316-43-2)

Safety Data

• Statements: 41
• Safety Statements: 26-39
• Hazardous Substances Data: 67316-43-2(Hazardous Substances Data)

Usage

Uses

Used in Neuroscience Research:
CHEMBRDG-BB 4015094 is used as a research tool for studying endocannabinoid signaling pathways, which can help in understanding the role of the endocannabinoid system in various physiological processes and may contribute to the development of therapeutic agents targeting this system.
Used in Drug Development:
CHEMBRDG-BB 4015094 is used as a potential therapeutic agent in the development of drugs targeting the endocannabinoid system, which may have applications in treating mood disorders, memory impairments, appetite-related conditions, and pain management.

InChI:InChI=1/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)

Upstream product

• 593-51-1 methylamine hydrochloride 
• 2927-71-1 2,4-dichloro-5-fluoropyrimidine 
• 74-89-5 methylamine 

Downstream Products

• 1351758-78-5 (4-(5-fluoro-4-(methylamino)pyrimidin-2-ylamino)-3-methoxyphenyl)(morpholino)methanone 
• 1351762-14-5 4-(5-fluoro-4-(methylamino)pyrimidin-2-ylamino)-3-methoxybenzoic acid 

Relevant articles and documents

Cyclic Ureas

Amides that inhibit cellular necrosis and/or human receptor interacting protein 1 kinase (RIP1), including corresponding sulfonamides, and pharmaceutically acceptable salts, hydrates and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

Fluorine-18 and carbon-11 labeled radioligands for positron emission tomography (PET) imaging for LRRK2

A method for positron emission tomography (PET) imaging of LRRK2 in tissue of a subject, the method comprising: administering a compound of formula I, formula II or formula III, or a pharmaceutically acceptable salt thereof to the subject, wherein the com

AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS

Compounds of the formula (I), or pharmaceutically acceptable salts thereof, wherein m, n. X, R1, R2, R3, R4 and R5 are as defined herein. Also disclosed are methods of making the compounds and using t

2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE

Specific Compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein m, X, R, R2, R3, R, R6 and R7 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS

Compounds of the formula (I): or pharmaceutically acceptable salts thereof, wherein A, X, R1, R2, R3 and R4 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for t

2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE

Compounds of the formula (I), or pharmaceutically acceptable salts thereof, wherein m, n. X, R1, R2, R3, R4 and R5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2

A method for positron emission tomography (PET) imaging of LRRK2 in the tissue of a subject, the method comprising: administering a compound of formula (I), formula (II) or formula (III), or a pharmaceutically acceptable salt thereof to the subject, where

Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling

Mutations in the genetic sequence of leucine-rich repeat kinase 2 (LRRK2) have been linked to increased LRRK2 activity and risk for the development of Parkinson's disease (PD). Potent and selective small molecules capable of inhibiting the kinase activity of LRRK2 will be important tools for establishing a link between the kinase activity of LRRK2 and PD. In the absence of LRRK2 kinase domain crystal structures, a LRRK2 homology model was developed that provided robust guidance in the hit-to-lead optimization of small molecule LRRK2 inhibitors. Through a combination of molecular modeling, sequence analysis, and matched molecular pair (MMP) activity cliff analysis, a potent and selective lead inhibitor was discovered. The selectivity of this compound could be understood using the LRRK2 homology model, and application of this learning to a series of 2,4-diaminopyrimidine inhibitors in a scaffold hopping exercise led to the identification of highly potent and selective LRRK2 inhibitors that were also brain penetrable.

PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS

Compounds of the formula (I), or pharmaceutically acceptable salts thereof, wherein X, R1, R2, R3, R4 and R5 are as defined herein. Also disclosed are methods of making the compounds and using the com

AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS

Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein m, n. X, R1, R2, R3, R5, R6 and R7 are as defined herein. Also disclosed are methods of making the compound