Cathepsin G Inhibitor I

Base Information

• Chemical Name: Cathepsin G Inhibitor I
• CAS No.: 429676-93-7
• Molecular Formula: C36H33N2O6P
• Molecular Weight: 620.63100
• DSSTox Substance ID: DTXSID80431393
• Nikkaji Number: J1.729.250A
• Pharos Ligand ID: ZWF3M3QGMQHW
• ChEMBL ID: CHEMBL164694
• Mol file: 429676-93-7.mol

Synonyms:Cathepsin G Inhibitor I;429676-93-7;Cathepsin G Inhibitor;CHEMBL164694;[2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid;SCHEMBL1613660;DTXSID80431393;BDBM50139754;HY-103351;CS-0027703;A918760;(2-{3-[(1-Benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid;[1-(1-Naphthyl)-2-[3-[methyl(1-benzoyl-4-piperidinyl)carbamoyl]-2-naphthyl]-2-oxoethyl]phosphonic acid;[2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2 oxoethyl]phosphonic acid

Chemical Property of Cathepsin G Inhibitor I

Chemical Property:

• Boiling Point: 912.0±75.0 °C(Predicted)
• PKA: 1.51±0.10(Predicted)
• PSA: 125.03000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 6.40940
• Sensitive.: Light Sensitive
• Solubility.: Soluble in DMSO
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 620.20762377
• Heavy Atom Count: 45
• Complexity: 1110

Purity/Quality:

97% ^*data from raw suppliers

Cathepsin G Inhibitor I ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3C(=O)C(C5=CC=CC6=CC=CC=C65)P(=O)(O)O
• Description: Cathepsin G inhibitor I is a potent and selective inhibitor of cathepsin G (IC50 = 53 nM). It weakly inhibits or has no effect on related proteases, including chymotrypsin, thrombin, plasmin, trypsin, tryptase, and elastase.
• Uses: Cathepsin G inhibitor I is a potent and selective inhibitor of cathepsin G.

Technology Process of Cathepsin G Inhibitor I

There total 9 articles about Cathepsin G Inhibitor I 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: 88.0%

(2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid diethyl ester (429677-02-1) → (2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid (429676-93-7)

Guidance literature:

(2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid diethyl ester; With pyridine; trimethylsilyl bromide; for 0.75h;

With hydrogenchloride; for 2h; Further stages.;

DOI:10.1021/ja017506h

Reference yield:

3-[2-(Diethoxy-phosphoryl)-2-naphthalen-1-yl-acetyl]-naphthalene-2-carboxylic acid (429676-95-9) → (2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid (429676-93-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 0.29 g / HOBt; DCC; DIPEA / acetonitrile / 60 h

2.1: bromotrimethylsilane; pyridine / 0.75 h

2.2: 88 percent / aq. HCl / 2 h

With pyridine; trimethylsilyl bromide; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; In acetonitrile;

DOI:10.1021/ja017506h

Reference yield:

tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate (429677-00-9) → (2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid (429676-93-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: KH / tetrahydrofuran / 1 h / 0 - 20 °C

1.2: 97 percent / tetrahydrofuran / 2 h / 20 °C

2.1: 0.42 g / TFA / CH₂Cl₂ / 1 h

3.1: 0.29 g / HOBt; DCC; DIPEA / acetonitrile / 60 h

4.1: bromotrimethylsilane; pyridine / 0.75 h

4.2: 88 percent / aq. HCl / 2 h

With pyridine; trimethylsilyl bromide; potassium hydride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; acetonitrile;

DOI:10.1021/ja017506h

upstream raw materials:

(2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid diethyl ester

tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate

(1-benzoyl-piperidin-4-yl)-methyl-carbamic acid tert-butyl ester

3-[2-(Diethoxy-phosphoryl)-2-naphthalen-1-yl-acetyl]-naphthalene-2-carboxylic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 429676-93-7 CATHEPSIN G INHIBITOR I

Send

Send

Metric Ton KG G Pound L ML

Send

Send