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112037-78-2

1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 112037-78-2 Structure

  • Basic information

    1. Product Name: 1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE
    2. Synonyms: -carboline;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline;1,2,3,4-Tetrahydro-1-(trifluoroMethyl)--carboline;1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE;1,2,3,4-TETRAHYDRO-1-(TRIFLUOROMETHYL)-BETA-CARBOLINE;1,2,3,4-Tetrahydro-1-(trifluoromethyl)-ß
    3. CAS NO:112037-78-2
    4. Molecular Formula: C12H11F3N2
    5. Molecular Weight: 240.22
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 112037-78-2.mol

  • Chemical Properties

    1. Melting Point: 147-149°C
    2. Boiling Point: 350 °C at 760 mmHg
    3. Flash Point: 165.5 °C
    4. Appearance: /
    5. Density: 1.351 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 16.63±0.40(Predicted)
    10. CAS DataBase Reference: 1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE(112037-78-2)
    12. EPA Substance Registry System: 1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE(112037-78-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 112037-78-2(Hazardous Substances Data)

112037-78-2 Usage

Mechanism of action

Although βCCE and other β-carbolines are not endogenous BZR ligands (vide supra) and are not currently approved for clinical use, they are used to characterize different GABAA/BZR subtypes (based on a and g subunit composition) and function (e.g., the partial agonist abecarnil) toward the discovery of anxioselective drugs. In this regard, the β-carboline ring system is planar in comparison to the boat conformation of the 1,4-benzodiazepines; thus, β-carbolines have been useful to extend structure–activity relationship information for the agonist, antagonist, and inverse agonist pharmacophores of the various GABAA/BZR subtypes.

Clinical Use

Several β-carbolines have approximately 10-fold higher affinity for the BZR when compared to diazepam. The ethyl ester of β-carboline-3-carboxylic acid (βCCE), identified in human urine extracts as an artifact of the extraction procedure, has very high affinity for the BZR.

Check Digit Verification of cas no

The CAS Registry Mumber 112037-78-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,0,3 and 7 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 112037-78:
(8*1)+(7*1)+(6*2)+(5*0)+(4*3)+(3*7)+(2*7)+(1*8)=82
82 % 10 = 2
So 112037-78-2 is a valid CAS Registry Number.

112037-78-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

1.2 Other means of identification

Product number -
Other names HMS1532C18

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:112037-78-2 SDS

112037-78-2Downstream Products

112037-78-2Relevant articles and documents

A Facile Synthesis of 1-Trifluoromethyl-β-carboline

Maki, Yasuo,Kimoto, Hiroshi,Fujii, Shozo

, p. 685 - 688 (1987)

The two-step synthesis of the title compound has been achieved by Mannich-type condensation of tryptamine with trifluoroacetaldehyde, followed by dehydrogenation with selenium dioxide; the overall yield was 79.3percent.

β-Carbolines as specific inhibitors of cyclin-dependent kinases

Song, Yongcheng,Wang, Jian,Teng, Su Fern,Kesuma, Djohan,Deng, Yu,Duan, Jinao,Wang, Jerry H.,Qi, Robert Zhong,Sim, Mui Mui

, p. 1129 - 1132 (2007/10/03)

Harmine (3), 7-fluoro-1-methyl β-carboline (35) and 1-(5-methyl-imidazol-4-yl) β-carboline (41) were potent and specific inhibitors of cyclin-dependent kinases. The degree of aromaticity of the tricyclic ring and the positioning of substituents are important for inhibitory activity. While most β-carbolines inhibited CDK2 and CDK5 to the same extent, selective inhibition against CDK2 was observed in 1-(2-chlorophenyl)- (12), 1-(2-fluorophenyl)- (15), and 1-(2-chloro-5-nitrophenyl)- (28) β-carbolines.

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