ICCB-19 hydrochloride - 10mM in DMSO , CAS No.1803605-68-6

CAS: 1803605-68-6 Cat. No.: I422211 Molecular Weight: 291.84 EC Number: 862-617-9 PubChem CID: 91654402

GRADE & PURITY 10mM in DMSO

Synonyms

EN300-195751 | s6078 | ICCB-19 HCl pound 750621-52-4 free base pound(c) | N-cycloheptyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide hydrochloride | E74676 | MS-24169 | EX-A6564 | HY-138779 | ICCB-19 hydrochloride | N-cycloheptyl-2-(4,5-dihydro-1H-im

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

ICCB-19 hydrochloride ICCB-19 hydrochloride is an inhibitor of TNFRSF1A Associated Via Death Domain (TRADD) with IC50 of 1.12 μM and 2.01 μM for protecting Velcade-induced apoptosis in Jurkat cells and protecting RDA in MEFs, respectively. ICCB-19 indirectly inhibits Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) . ICCB-19 effectively induces autophagy .

Targets

TRADD ; RIPK1

Specifications

Synonyms

EN300-195751 | s6078 | ICCB-19 HCl pound 750621-52-4 free base pound(c) | N-cycloheptyl-2-(4, 5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide hydrochloride | E74676 | MS-24169 | EX-A6564 | HY-138779 | ICCB-19 hydrochloride | N-cycloheptyl-2-(4, 5-dihydro-1H-im

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

ICCB-19 hydrochloride is an inhibitor of TNFRSF1A Associated Via Death Domain (TRADD) with IC50 of 1.12 μM and 2.01 μM for protecting Velcade-induced apoptosis in Jurkat cells and protecting RDA in MEFs, respectively. ICCB-19 indirectly inhibits Receptor-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: C1CCCC(CC1)NC(=O)CSC2=NCCN2.Cl
• IUPAC Name: N-cycloheptyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
• InChIKey: TZICOTBZKPHMMK-UHFFFAOYSA-N
• INCHI: 1S/C12H21N3OS.ClH/c16-11(9-17-12-13-7-8-14-12)15-10-5-3-1-2-4-6-10;/h10H,1-9H2,(H,13,14)(H,15,16);1H
• Isomeric SMILES: C1CCCC(CC1)NC(=O)CSC2=NCCN2.Cl
• PubChem CID: 91654402
• Molecular Weight: 291.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Imidazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolines
• Alternative Parents: Secondary carboxylic acid amides Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-imidazoline - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond.
• 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

Chemical and Physical Properties

• Molecular Weight: 291.840 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 291.117 Da
• Monoisotopic Mass: 291.117 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3