N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Base Information

Chemical Name:N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine
CAS No.:1320288-17-2
Molecular Formula:C₃₆H₅₉N₇O₂
Molecular Weight:621.91
Hs Code.:
UNII:Z5F4D95Y7J
DSSTox Substance ID:DTXSID901025975
Wikidata:Q27215236
Pharos Ligand ID:1CL835U2WS92
ChEMBL ID:CHEMBL1829304
Mol file:1320288-17-2.mol

Synonyms:N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine;UNC 0646;UNC-0646;UNC0646

Suppliers and Price of N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)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

Usbiological
UNC 0646
10mg
$ 508.00

TRC
UNC0646
10mg
$ 110.00

Tocris
UNC0646 ≥99%(HPLC)
50
$ 952.00

Tocris
UNC0646 ≥99%(HPLC)
10
$ 227.00

Sigma-Aldrich
UNC0646 ≥98% (HPLC)
5mg
$ 130.00

Sigma-Aldrich
UNC0646 ≥98% (HPLC)
25mg
$ 520.00

Medical Isotopes, Inc.
UNC0646
50 mg
$ 875.00

Medical Isotopes, Inc.
UNC0646
100 mg
$ 1125.00

DC Chemicals
UNC0646 >98%
1 g
$ 2500.00

DC Chemicals
UNC0646 >98%
250 mg
$ 1300.00

Total 13 raw suppliers

Chemical Property of N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Chemical Property:

Boiling Point:754.6±70.0 °C(Predicted)
PKA:9.34±0.70(Predicted)
PSA：72.46000
Density:1.128±0.06 g/cm3(Predicted)
LogP:5.32330
Storage Temp.:2-8°C
Solubility.:DMSO: soluble2mg/mL, clear (warmed)
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:621.47302415
Heavy Atom Count:45
Complexity:845

Purity/Quality:

99%, ^*data from raw suppliers

UNC 0646 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6
Description G9a and G9a-like protein (GLP) are euchromatic histone-lysine methyltransferases (EHMT2 and EHMT1, respectively) that can heterodimerize with each other to methylate several proteins in addition to histone H3. UNC0646 is a potent and selective inhibitor of G9a and GLP activities in vitro (IC50s = 6 and 15 nM, respectively) and G9a/GLP-mediated dimethylation of histone 3 on lysine 9 in MDA-MB-231 cells (IC50 = 26 nM). It is highly selective for G9a/GLP over several other protein lysine and arginine methyltransferases. UNC0646 potently inhibits G9a/GLP activity in a variety of cancer cell lines as well as in the human fetal lung IMR-90 line. UNC0646 selectively targets the corepressor function of G9a without affecting its ability to act as a coactivator with glucocorticoid receptor.
Uses UNC0646 is a novel Protein lysine methyltransferase G9a inhibitor.

Technology Process of N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

There total 9 articles about N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)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:

: C₂₈H₄₂ClN₅O₂

: 59039-61-1
1-isopropyl-1,4-diazepane

: 1320288-17-2
N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Guidance literature:: With trifluoroacetic acid; In isopropyl alcohol; at 160 ℃; for 0.25h; Microwave irradiation;
DOI:10.1021/jm200903z

Reference yield:

: 574738-68-4
methyl 2-amino-5-methoxy-4-(3-(piperidin-1-yl)propoxy)benzoate

: 1320288-17-2
N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Guidance literature:: Multi-step reaction with 5 steps

1: acetic acid / water / 20 °C

2: water; sodium hydroxide / methanol / 3 h / Reflux

3: N,N-diethylaniline; trichlorophosphate / 7 h / Reflux

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

5: trifluoroacetic acid / isopropyl alcohol / 0.25 h / 160 °C / Microwave irradiation

With water; acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N,N-diethylaniline; sodium hydroxide; trichlorophosphate; In tetrahydrofuran; methanol; water; isopropyl alcohol;
DOI:10.1021/jm200903z

Reference yield:

: 927173-22-6
methyl 5-methoxy-2-nitro-4-(3-(piperidin-1-yl)propoxy)benzoate

: 1320288-17-2
N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

Guidance literature:: Multi-step reaction with 6 steps

1: ammonium acetate; water; iron / ethyl acetate / Reflux

2: acetic acid / water / 20 °C

3: water; sodium hydroxide / methanol / 3 h / Reflux

4: N,N-diethylaniline; trichlorophosphate / 7 h / Reflux

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

6: trifluoroacetic acid / isopropyl alcohol / 0.25 h / 160 °C / Microwave irradiation

With ammonium acetate; water; iron; acetic acid; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N,N-diethylaniline; sodium hydroxide; trichlorophosphate; In tetrahydrofuran; methanol; water; ethyl acetate; isopropyl alcohol;
DOI:10.1021/jm200903z