39876-39-6

Basic information

• Product Name: 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
• Synonyms: 8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole(SALTDATA: FREE);6-FLUORO-1,2,3,4-TETRAHYDROPYRIDO(4,3-B)INDOLE;8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE;AKOS JY2082799;Fluoro-1,2,3,4-tetrahydropyrido[4,3]indole;6-Fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indole 97%;6-Fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indole97%;8-FLUORO-2,3,4,5-TETRAHYDROPYRIDO(4,3-B)INDOLE
• CAS NO: 39876-39-6
• Molecular Formula: C₁₁H₁₁FN₂
• Molecular Weight: 190.22
• Mol File: 39876-39-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 214-216°C
• Boiling Point: 355.1 °C at 760 mmHg
• Flash Point: 168.5 °C
• Appearance: /
• Density: 1.277 g/cm³
• Vapor Pressure: 3.21E-05mmHg at 25°C
• Refractive Index: 1.645
• PKA: 16.93±0.20(Predicted)
• CAS DataBase Reference: 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE(39876-39-6)
• EPA Substance Registry System: 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE(39876-39-6)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 39876-39-6(Hazardous Substances Data)

Usage

General Description

8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE is a chemical compound with the molecular formula C11H10FNO. It is a fluorinated derivative of the neurotransmitter serotonin and belongs to the family of indole alkaloids. 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE exhibits pharmacological activity as a serotonin receptor agonist and has potential application in the treatment of psychiatric disorders, including depression and anxiety. Its unique structure and fluorine substitution make it an interesting target for medicinal chemistry research aimed at developing new drugs with improved efficacy and reduced side effects. However, further studies are needed to fully understand the pharmacological properties and therapeutic potential of 8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE.

InChI:InChI=1/C11H11FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2

Upstream product

• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 371-14-2 4-fluorophenylhydrazine 
• 870471-42-4 8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester 
• 823-85-8 4-fluorophenyhydrazine hydrochloride 
• 41979-39-9 4-piperidone hydrochloride 
• 58038-66-7 2-carbethoxy-8-fluoro-2,3,4,5-tetrahydro-1H-pyrido<4,3-b>indole 

Downstream Products

• 136725-26-3 1-Trityl-4-(8-fluoro-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-2-ylmethyl)piperidine 

Relevant articles and documents

NOVEL COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES

The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

Aryl substituted aminotetrahydropyran compound and use thereof

The invention relates to an aryl substituted aminotetrahydropyran compound and use thereof, and further relates to a pharmaceutical composition comprising the compound. The compound or pharmaceuticalcomposition provided by the invention can be used as a dipeptidyl peptidase-IV (DPP-IV) inhibitor.

(1 R,2 R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3- b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): A potent and highly selective cathepsin k inhibitor for the treatment of osteoarthritis

Directed screening of nitrile compounds revealed 3 as a highly potent cathepsin K inhibitor but with cathepsin S activity and very poor stability to microsomes. Synthesis of compounds with reduced molecular complexity, such as 7, revealed key SAR and demonstrated that baseline physical properties and in vitro stability were in fact excellent for this series. The tricycle carboline P3 unit was discovered by hypothesis-based design using existing structural information. Optimization using small substituents, knowledge from matched molecular pairs, and control of lipophilicity yielded compounds very close to the desired profile, of which 34 (AZD4996) was selected on the basis of pharmacokinetic profile.