JTE 907

Iupac Name：N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

CAS No.: 282089-49-0

Molecular Weight：438.47304

Modify Date.: 2022-11-25 06:30

Introduction:

N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is a member of quinolines and an aromatic amide.

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1. Names and Identifiers

1.1 Name: JTE 907
1.2 Synonyms: 3-Quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)- JTE 907 JTE907(JTE-907 N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDE N-(benzo[d][1,3]dioxol-5-ylMethyl)-7-Methoxy-2-oxo-8-(pentyl N-(Benzo[d][1,3]dioxol-5-ylMethyl)-7-Methoxy-2-oxo-8-(pentyloxy)-1,2-dihydro-quinolin-3-carboxaMide

1.3 CAS No.: 282089-49-0

1.4 CID: 9867770

1.5 Molecular Formula: C24H26N2O6 (isomer)

1.6 Inchi: InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)

1.7 InChkey: GRAJFFFXJYFVOC-UHFFFAOYSA-N

1.8 Canonical Smiles: CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

1.9 Isomers Smiles: CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

2. Properties

2.1 Density: 1.267

2.1 Boiling point: 704.2°Cat760mmHg

2.1 Refractive index: 1.59

2.1 Flash Point: 379.7°C

2.1 Precise Quality: 438.17900

2.1 PSA: 98.88000

2.1 logP: 4.15530

2.1 Solubility: Insuluble (2.5E-4 g/L) (25 oC),

2.2 Color/Form: white to off-white

2.3 StorageTemp: Store at RT

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: 22

3.1 WGK Germany: 3

3.1 RTECS: VB1150900

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Other Information

5.0 Mesh Entry Terms: JTE 907

5.1 Biological Activity: Highly selective cannabinoid CB 2 receptor inverse agonist. Binds with high affinity to rat, mouse and human CB 2 receptors (K i values are 0.38, 1.55 and 35.9 nM respectively). Produces anti-inflammatory effects in vivo .

6. Computational chemical data

Molecular Weight: 438.47304g/mol
Molecular Formula: C₂₄H₂₆N₂O₆
Compound Is Canonicalized: True
XLogP3-AA: 4.4
Exact Mass: 438.17908655
Monoisotopic Mass: 438.17908655
Complexity: 698
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 95.1
Heavy Atom Count: 32
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAEiBQAAAHgAQAAAADAzhmAcyzoLABACIAiVSUACCCAAhIAAIiIEPzMgfJirM8ZunOCrmxhne6Yew0BMOIAABAgACUABAAAIEAASgAAAAAAAAAA==

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JTE-907 JTE907 Snow Privacy pharmacy Safe shipping

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N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydro-quinolin-3-carboxamide