ICCB-19 hydrochloride - ≥99% , CAS No.1803605-68-6

CAS: 1803605-68-6 Cat. No.: I413405 Formula: C₁₂H₂₂ClN₃OS Peso molecolare: 291.84 Numero EC: 862-617-9 PubChem CID: 91654402

GRADE & PURITY ≥99%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

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-

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504772630

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772630

Sorrisi canonici

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

Isomeri SMILES

C1CCCC(CC1)NC(=O)CSC2=NCCN2.Cl

PubChem CID

91654402

Peso molecolare

291.84

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 58 mg/mL (198.73 mM); Water: 58 mg/mL (198.73 mM); Ethanol: 58 mg/mL (198.73 mM)
• Sensibilità: light sensitive
• Peso molecolare: 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