2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Base Information

Chemical Name:2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CAS No.:1481677-78-4
Molecular Formula:C29H44F2N6O2
Molecular Weight:546.6954664
Hs Code.:
UNII:3DG5AHY932
Nikkaji Number:J3.246.034H
Wikidata:Q27089087
Pharos Ligand ID:K9JPMUHL83Y4
ChEMBL ID:CHEMBL2441082
Mol file:1481677-78-4.mol

Synonyms:2-(4,4-difluoropiperidin-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine;UNC0642

Suppliers and Price of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

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
UNC0642
5mg
$ 140.00

TRC
UNC0642
100mg
$ 1155.00

Tocris
UNC0642 ≥99%(HPLC)
50
$ 1175.00

Tocris
UNC0642 ≥99%(HPLC)
10
$ 288.00

Sigma-Aldrich
UNC0642 ≥98% (HPLC)
5 mg
$ 181.00

Sigma-Aldrich
UNC0642 ≥98% (HPLC)
25 mg
$ 725.00

DC Chemicals
UNC-0642 >98%
250 mg
$ 1500.00

DC Chemicals
UNC-0642 >98%
100 mg
$ 800.00

Crysdot
UNC0642 98+%
100mg
$ 871.00

Crysdot
UNC0642 98+%
50mg
$ 461.00

Total 22 raw suppliers

Chemical Property of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Chemical Property:

Boiling Point:679.2±65.0 °C(Predicted)
PKA:10.06±0.20(Predicted)
PSA：65.99000
Density:1.23±0.1 g/cm3(Predicted)
LogP:5.03710
Storage Temp.:2-8°C
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:546.34938099
Heavy Atom Count:39
Complexity:739

Purity/Quality:

99%, ^*data from raw suppliers

UNC0642 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F
Uses UNC 0642 is an in vivo chemical probe of the lysine methyltransferases G9a and GLP which maintains high in vitro and cellular potency, low cell toxicity, and selectivity.

Technology Process of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

There total 9 articles about 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine 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: 80.0%

: 1350752-07-6
2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxyl-7-(3-(pyrrolidin-1-yl)propoxyl)quinazolin-4-amine

: 144230-52-4
4,4-difluoropiperidine hydrochloride

: 1481677-78-4
UNC0642

Guidance literature:: With trifluoroacetic acid; In isopropyl alcohol; at 160 ℃; for 0.25h; Microwave irradiation; Sealed tube;
DOI:10.1021/jm401480r

Reference yield:

: 1320288-24-1
methyl 2-amino-5-methoxy-4-[3-(pyrrolidin-1-yl)propoxy]benzoate

: 1481677-78-4
UNC0642

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetic acid / water / 20 °C

1.2: Reflux

2.1: trichlorophosphate / N,N-dimethyl-aniline / Reflux

3.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C

4.1: trifluoroacetic acid / isopropyl alcohol / 0.25 h / 160 °C / Microwave irradiation; Sealed tube

With acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; trichlorophosphate; In tetrahydrofuran; water; N,N-dimethyl-aniline; isopropyl alcohol;
DOI:10.1021/jm401480r

Reference yield:

: 1320288-30-9
2,4-dichloro-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline

: 1481677-78-4
UNC0642

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C

2: trifluoroacetic acid / isopropyl alcohol / 0.25 h / 160 °C / Microwave irradiation; Sealed tube

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; isopropyl alcohol;
DOI:10.1021/jm401480r