N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide

Base Information

Chemical Name:N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide
CAS No.:783348-36-7
Molecular Formula:C₁₉H₁₅ClN₄O₂
Molecular Weight:366.807
Hs Code.:2933990090
European Community (EC) Number:809-486-6
UNII:GD8S432HM5
DSSTox Substance ID:DTXSID50432993
Wikidata:Q27087257
Pharos Ligand ID:899TBFNC7JKS
ChEMBL ID:CHEMBL608154
Mol file:783348-36-7.mol

Synonyms:ML 120B;N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide

Suppliers and Price of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide

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

TRC
ML120B
25mg
$ 495.00

Matrix Scientific
N-(6-Chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide 95%
250mg
$ 5366.00

Matrix Scientific
N-(6-Chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide 95%
100mg
$ 2683.00

DC Chemicals
MLN-120B >98%
1 g
$ 2400.00

DC Chemicals
MLN-120B >98%
250 mg
$ 1200.00

Crysdot
MLN120B 98+%
25mg
$ 480.00

ChemScene
MLN120B 99.94%
50mg
$ 864.00

ChemScene
MLN120B 99.94%
5mg
$ 120.00

ChemScene
MLN120B 99.94%
10mg
$ 216.00

Biosynth Carbosynth
MLN120B
50 mg
$ 577.50

Total 20 raw suppliers

Chemical Property of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide

Chemical Property:

PSA：83.39000
LogP:4.71780
Solubility.:insoluble in H2O; ≥13.2 mg/mL in DMSO; ≥8.53 mg/mL in EtOH with gentle warming and ultrasonic
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:366.0883534
Heavy Atom Count:26
Complexity:522

Purity/Quality:

99%, ^*data from raw suppliers

ML120B ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4
Uses ML 120B is a novel competitive inhibitor of ATP and i-kappa-kinase-2 (IKK2), key regulator in the survival, proliferation and apoptosis resistance of lymphoma cells.

Technology Process of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide

There total 4 articles about N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide 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: 60.0%

: 431886-96-3
6-chloro-7-methoxy-9H-β-carbolin-8-ylamine

: 3222-56-8
2-methylnicotinic acid

: 783348-36-7
N-(6-chloro-7-methoxy-9H-β-carbolin-8-yl)-2-methyl-nicotinamide

Guidance literature:: With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 80 ℃;

Reference yield: 50.0%

: 3222-56-8
2-methylnicotinic acid

: 361202-25-7
8-amino-6-chloro-β-carboline

: 783348-36-7
N-(6-chloro-7-methoxy-9H-β-carbolin-8-yl)-2-methyl-nicotinamide

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In pyridine; at 80 ℃;

Reference yield:

: 1721-26-2
ethyl 2-methyl nicotinate

: 783348-36-7
N-(6-chloro-7-methoxy-9H-β-carbolin-8-yl)-2-methyl-nicotinamide

Guidance literature:: Multi-step reaction with 2 steps

1: lithium hydroxide monohydrate; water / tetrahydrofuran / 20 °C

2: pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / 80 °C

With pyridine; lithium hydroxide monohydrate; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran;