Cathepsin G Inhibitor - ≥95% , CAS No.429676-93-7

CAS: 429676-93-7 Cat. No.: C275652 Molecular Weight: 620.63

GRADE & PURITY ≥95%

Synonyms

HY-103351 | DTXSID80431393 | SCHEMBL1613660 | BDBM50139754 | [2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid | Cathepsin G Inhibitor | Cathepsin G Inhibitor I | (2-{3-[(1-Benzoyl-piperidin-4-y

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Cathepsin G inhibitor I (2 μM) reduced the formation of neutrophil extracellular traps (NETs) induced by cancer cells. In addition, cathepsin G inhibitor I (2 μM) inhibited neutrophil-stimulated invasion. Thus, inhibition of cathepsin G, a protease associated with NETs, was able to reduce the extension of NETs and block neutrophils’ ability to promote invasion.

Specifications

Synonyms

HY-103351 | DTXSID80431393 | SCHEMBL1613660 | BDBM50139754 | [2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid | Cathepsin G Inhibitor | Cathepsin G Inhibitor I | (2-{3-[(1-Benzoyl-piperidin-4-y

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Cell-permeable, potent, selective, reversible, competitive cathepsin G inhibitor (IC 50 = 0.53 μM). Ameliorates extracellular matrix damage and upregulates MMPs. Active in vitro and in vivo .

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• 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
• IUPAC Name: [2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
• InChIKey: GNOZQRKYZJSIPZ-UHFFFAOYSA-N
• INCHI: 1S/C36H33N2O6P/c1-37(28-18-20-38(21-19-28)35(40)25-11-3-2-4-12-25)36(41)32-23-27-14-6-5-13-26(27)22-31(32)33(39)34(45(42,43)44)30-17-9-15-24-10-7-8-16-29(24)30/h2-17,22-23,28,34H,18-21H2,1H3,(H2,42,43,44)
• Isomeric 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
• Molecular Weight: 620.63
• Reaxy-Rn: 9373086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9373086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: N-benzoylpiperidines 1-benzoylpiperidines Naphthalenecarboxamides Benzamides Aryl alkyl ketones Tertiary carboxylic acid amides Organic phosphonic acids Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Stilbene - N-benzoylpiperidine - 1-benzoylpiperidine - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxamide - Naphthalene - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Aryl ketone - Aryl alkyl ketone - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organophosphonic acid derivative - Organophosphonic acid - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organophosphorus compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CTSG Tchem Cathepsin G (1 Activities)

Discover Target: CTSG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 5 mM
• Sensitivity: Sensitive to light
• Molecular Weight: 620.600 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 620.208 Da
• Monoisotopic Mass: 620.208 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1