Unii-0W6K09gaqb

Base Information

Chemical Name:Unii-0W6K09gaqb
CAS No.:887401-92-5
Molecular Formula:C₂₆H₃₁F₃N₄O₄
Molecular Weight:520.552
Hs Code.:
UNII:0W6K09GAQB
ChEMBL ID:CHEMBL1951790,CHEMBL1963131
Pharos Ligand ID:JBV3HQYZLC7J
Wikidata:Q27231179
Mol file:887401-92-5.mol

Synonyms:INCB 3284;INCB 3284 dimesylate;INCB3284

Suppliers and Price of Unii-0W6K09gaqb

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

Crysdot
INCB3284 98+%
50mg
$ 298.00

Crysdot
INCB3284 98+%
10mg
$ 63.00

ChemScene
INCB3284 99.30%
50mg
$ 516.00

ChemScene
INCB3284 99.30%
10mg
$ 110.00

Total 5 raw suppliers

Chemical Property of Unii-0W6K09gaqb

Chemical Property:

Boiling Point:703.7±60.0 °C(Predicted)
PKA:12.94±0.46(Predicted)
Density:1.35±0.1 g/cm3(Predicted)
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:520.22973997
Heavy Atom Count:37
Complexity:790

Purity/Quality:

97% ^*data from raw suppliers

INCB3284 98+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=NC=C(C=C1)C2(CCC(CC2)N3CCC(C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O
Isomeric SMILES:COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O

Technology Process of Unii-0W6K09gaqb

There total 7 articles about Unii-0W6K09gaqb 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:

: 226249-16-7
(R)-N-(2-oxo-2-(pyrrolidin-3-ylamino)-ethyl)-3-(trifluoromethyl)benzamide

: 708273-57-8
4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexanone

: 887401-92-5
INCB₃₂₈₄

: N-(2-((R)-1-(cis-4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

Guidance literature:: With 5% Pt/Al2O3; hydrogen; In dichloromethane; for 18h; under 3102.97 Torr; optical yield given as %de;
DOI:10.1021/ml200030q

Reference yield:

: 13472-85-0,1199266-76-6
2-methoxy-5-bromopyridine

: 887401-92-5
INCB₃₂₈₄

: N-(2-((R)-1-(cis-4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.83 h / -78 °C / Inert atmosphere

1.2: 1.33 h / -78 °C / Inert atmosphere

2.1: hydrogenchloride; water / tetrahydrofuran

3.1: 5% Pt/Al2O3; hydrogen / dichloromethane / 18 h / 3102.97 Torr

With hydrogenchloride; n-butyllithium; 5% Pt/Al2O3; water; hydrogen; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/ml200030q

Reference yield:

: 226228-88-2,226228-42-8
(R)-N-(2-(1-benzylpyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

: 887401-92-5
INCB₃₂₈₄

: N-(2-((R)-1-(cis-4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; palladium(II) hydroxide / methanol / 20 °C / 2844.39 Torr

2: 5% Pt/Al2O3; hydrogen / dichloromethane / 18 h / 3102.97 Torr

With 5% Pt/Al2O3; hydrogen; palladium(II) hydroxide; In methanol; dichloromethane;
DOI:10.1021/ml200030q