Nvp-qav-680

Base Information

Chemical Name:Nvp-qav-680
CAS No.:872365-16-7
Molecular Formula:C₁₈H₁₈N₂O₄S
Molecular Weight:358.418
Hs Code.:
UNII:0E3D72URPD
ChEMBL ID:CHEMBL2442750
Metabolomics Workbench ID:152777
Nikkaji Number:J3.233.697C
Pharos Ligand ID:8HU9X3RDVRNX
Wikidata:Q27088492
Mol file:872365-16-7.mol

Synonyms:NVP-QAV680

Suppliers and Price of Nvp-qav-680

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
NVP-QAV680 >98%
250 mg
$ 1500.00

Anichem
{2-methyl-1-[4-(methylsulfonyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}aceticacid >95%
1g
$ 1250.00

Anichem
{2-methyl-1-[4-(methylsulfonyl)benzyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}aceticacid >95%
0.5g
$ 750.00

Total 7 raw suppliers

Chemical Property of Nvp-qav-680

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:358.09872823
Heavy Atom Count:25
Complexity:580

Purity/Quality:

>98% ^*data from raw suppliers

NVP-QAV680 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)C)N=CC=C2)CC(=O)O
Recent ClinicalTrials:Efficacy, Safety and Pharmacokinetics of QAV680 Versus Placebo in Patients With Asthma
Recent EU Clinical Trials:A randomized, double-blind, two way cross-over, proof of concept study to compare the efficacy, safety, pharmacokinetics and pharmacodynamics of two-week oral administration of QAV680 versus placebo, with an extended open-label inhaled corticosteroid period, in steroid-free, mild to moderate persistent asthma patients

Technology Process of Nvp-qav-680

There total 7 articles about Nvp-qav-680 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: [1-(4-methanesulfonylbenzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]acetic acid methyl ester

: 872365-16-7
2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 4h;
DOI:10.1016/j.bmc.2013.08.025

Reference yield:

: 23612-48-8
2-methyl-1H-pyrrolo[2,3-b]pyridine

: 872365-16-7
2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 1.25 h / 0 - 20 °C / Inert atmosphere

1.2: 0.02 h / -12 - 18 °C / Inert atmosphere

1.3: 20 h / 95 °C / Inert atmosphere

2.1: 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine / N,N-dimethyl-formamide / 1 h / 20 °C

2.2: 20 °C

3.1: sodium hydroxide / tetrahydrofuran; water; methanol / 4 h / 20 °C

With n-butyllithium; 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; sodium hydroxide; In tetrahydrofuran; methanol; hexane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2013.08.025

Reference yield:

: 271-63-6
7-Azaindole

: 872365-16-7
2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / dichloromethane / 0 - 20 °C

2.1: lithium diisopropyl amide / hexane; tetrahydrofuran / 0.5 h / -25 °C / Inert atmosphere

2.2: -25 - 10 °C / Inert atmosphere

3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 23 h / Inert atmosphere; Reflux

4.1: n-butyllithium / hexane; tetrahydrofuran / 1.25 h / 0 - 20 °C / Inert atmosphere

4.2: 0.02 h / -12 - 18 °C / Inert atmosphere

4.3: 20 h / 95 °C / Inert atmosphere

5.1: 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine / N,N-dimethyl-formamide / 1 h / 20 °C

5.2: 20 °C

6.1: sodium hydroxide / tetrahydrofuran; water; methanol / 4 h / 20 °C

With n-butyllithium; tetrabutyl ammonium fluoride; N-benzyl-N,N,N-triethylammonium chloride; 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; methanol; hexane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2013.08.025