Z-FL-COCHO

Base Information

Chemical Name:Z-FL-COCHO
CAS No.:1373215-15-6
Molecular Formula:C25H29FN4O5
Molecular Weight:484.52
Hs Code.:2934999090
Mol file:1373215-15-6.mol

Synonyms:LY 3000328;((3R,4S)-4-((4-fluorobenzoyl)amino)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl)N-methylcarbamate;[(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl] N-methylcarbamate;(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate;Benzamide, N-[(3R,4S)-3,4-dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluoro-;

Suppliers and Price of Z-FL-COCHO

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
LY3000328
2.5mg
$ 525.00

TRC
LY3000328
1mg
$ 275.00

Crysdot
CathepsinSinhibitor 98+%
10mg
$ 280.00

Crysdot
CathepsinSinhibitor 98+%
5mg
$ 217.00

Crysdot
CathepsinSinhibitor 98+%
50mg
$ 980.00

Crysdot
CathepsinSinhibitor 98+%
25mg
$ 545.00

ChemScene
LY3000328 99.35%
50mg
$ 1238.00

ChemScene
LY3000328 99.35%
10mg
$ 354.00

Chemenu
(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-ylmethylcarbamate 98%
50mg
$ 628.00

Cayman Chemical
LY3000328
500μg
$ 65.00

Total 12 raw suppliers

Chemical Property of Z-FL-COCHO

Chemical Property:

Appearance/Colour:White to off-white solid
Boiling Point:701.6±60.0 °C(Predicted)
PKA:12.50±0.46(Predicted)
PSA：95.86000
Density:1.38±0.1 g/cm3(Predicted)
LogP:2.53280
Solubility.:≥24.25 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH

Purity/Quality:

99%, ^*data from raw suppliers

LY3000328 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Description LY3000328 is a potent cathepsin S inhibitor (IC50 = 7.7 nM for the human enzyme). It is selective for cathepsin S over cathepsin L, K, B, and V (IC50s = >10,000, >10,000, 4,390, and 21,500 nM, respectively). LY3000328 (1-30 mg/kg) reduces aortic diameter in a mouse model of calcium chloride-induced abdominal aortic aneurysm.
Uses LY 3000328 is a cathepsin S inhibitor for treatment of abdominal aortic aneurysm. Further provides methods for treating plaque instability, atherosclerosis, or autoimmune disorders such as rheumatoid arthritis, psoriasis, and lupus comprising administering a therapeutically effective amount of a disclosed compound.

Technology Process of Z-FL-COCHO

There total 12 articles about Z-FL-COCHO 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: 90.0%

: 1373215-45-2
4-fluoro-N-((3R,4S)-3-hydroxy-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-4-yl)benzamide

: 530-62-1
1,1'-carbonyldiimidazole

: 74-89-5
methylamine

: 1373215-15-6
(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate

Guidance literature:: 4-fluoro-N-((3R,4S)-3-hydroxy-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-4-yl)benzamide; 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 15 - 25 ℃; for 2h; Large scale;

methylamine; In tetrahydrofuran; at 0 ℃; for 4.5h; Large scale;
DOI:10.1021/ml500283g

Reference yield:

: 49660-57-3
6-bromochroman-4-one

: 1373215-15-6
(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate

Guidance literature:: Multi-step reaction with 9 steps

1.1: sodium tetrahydroborate / ethanol / 3 h / 20 °C / Industry scale

1.2: Industry scale; Cooling with ice

2.1: toluene-4-sulfonic acid / toluene / 3.83 h / 50 °C / Reflux; Industry scale

3.1: N-Bromosuccinimide; water / dimethyl sulfoxide / 1.5 h / 0 - 5 °C

4.1: ammonium hydroxide / isopropyl alcohol; water / 15 h / 20 °C

5.1: D-(+)-camphoric acid / acetonitrile; water / 0.17 h / 70 - 75 °C

5.2: 50 °C

6.1: sodium hydrogencarbonate / water; tetrahydrofuran / 2.25 h / 17 °C / Industry scale

7.1: sodium t-butanolate / bis(η3-allyl-μ-chloropalladium(II)); tri tert-butylphosphoniumtetrafluoroborate / dimethyl sulfoxide / 0.75 h / 93 - 98 °C / Inert atmosphere

7.2: pH 2.3

7.3: 1 h / 40 °C

8.1: sodium tris(acetoxy)borohydride / acetonitrile / 5.67 h / 28 °C

9.1: tetrahydrofuran / 20 °C

9.2: 0.75 h / 5 °C

With ammonium hydroxide; sodium tetrahydroborate; N-Bromosuccinimide; D-(+)-camphoric acid; water; sodium tris(acetoxy)borohydride; sodium hydrogencarbonate; toluene-4-sulfonic acid; sodium t-butanolate; bis(η3-allyl-μ-chloropalladium(II)); tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; ethanol; water; dimethyl sulfoxide; isopropyl alcohol; toluene; acetonitrile;

Reference yield:

: 70695-78-2
(3R,4S)-4-amino-6-bromochroman-3-ol

: 1373215-15-6
(3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydrogencarbonate / water; tetrahydrofuran / 2.25 h / 17 °C / Industry scale

2.1: sodium t-butanolate / bis(η3-allyl-μ-chloropalladium(II)); tri tert-butylphosphoniumtetrafluoroborate / dimethyl sulfoxide / 0.75 h / 93 - 98 °C / Inert atmosphere

2.2: pH 2.3

2.3: 1 h / 40 °C

3.1: sodium tris(acetoxy)borohydride / acetonitrile / 5.67 h / 28 °C

4.1: tetrahydrofuran / 20 °C

4.2: 0.75 h / 5 °C

With sodium tris(acetoxy)borohydride; sodium hydrogencarbonate; sodium t-butanolate; bis(η3-allyl-μ-chloropalladium(II)); tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; water; dimethyl sulfoxide; acetonitrile;