ITX5061 - Moligand™, ≥98% , CAS No.1252679-52-9

CAS: 1252679-52-9 Cat. No.: I649585 Summenformel: C₃₀H₃₈ClN₃O₇S Molekulargewicht: 620.16 PubChem CID: 56843466

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-J4RA8K2Q2A | 1252679-52-9 | KC706 | KC-706 | N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride | ITX-5061 hydrochloride ; ITX 5061 HCl ; ITX506 HCl pound>>ITX5061 hydroc

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

ITX5061 is a type II inhibitor of p38 MAPK and also an antagonist of scavenger receptor B1 ( SR-B1 ).

In Vivo

ITX5061 is a type II inhibitor of p38 MAPK and also an antagonist of scavenger receptor B1 (SR-B1). Treatment of ITX5061 (30 mg/kg/day) for mice results in a 50% increase in HDL-C levels compare to baseline. ApoA-I levels are moderately (+15 %) but significantly increased in ITX5061-treated HuAITg mice, compare to mice receive vehicle. ITX5061 significantly decreases HDL-CE catabolism with an FCR of 1.86±0.40 pools/d vs 2.47±0.26 pools/d in the control group (P<0.05), while calculated production rates are identical in both groups (129±24 μg/g/d vs 129±16 μg/g/d). Moreover, accumulation of [ 3 H] CE in the liver is significantly lower in ITX5061-treated mice indicating that increased HDL-CE levels are due to reduced uptake by the liver . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:p38 MAPK, SR-B1

Specifications

Synonyme

UNII-J4RA8K2Q2A | 1252679-52-9 | KC706 | KC-706 | N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride | ITX-5061 hydrochloride ; ITX 5061 HCl ; ITX506 HCl pound>>ITX5061 hydroc

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

ITX5061 is a type II inhibitor of p38 MAPK and also an antagonist of scavenger receptor B1 ( SR-B1 ).

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528764922
• Kanonisches Lächeln: CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(=O)C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4.Cl
• IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride
• InChIKey: ICIJBYYMEBOTQP-UHFFFAOYSA-N
• INCHI: 1S/C30H37N3O7S.ClH/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33;/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35);1H
• Isomere SMILES: CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(=O)C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4.Cl
• Alternative CAS-Nummer: 1252679-52-9
• PubChem CID: 56843466
• MeSH-Eintrag: ITX-5061;ITX5061
• Molekulargewicht: 620.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Sulfanilides Anilides Methoxyanilines Phenylpropanes Anisoles Aryl ketones Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Morpholines Organic sulfonamides Organosulfonamides Aminosulfonyl compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfanilide - Naphthalene - Phenylpropane - Anilide - Methoxyaniline - Phenoxy compound - N-arylamide - Aryl ketone - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Monocyclic benzene moiety - Morpholine - Organic sulfonic acid amide - Oxazinane - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Hydrochloride - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 83.3 mg/mL (134.32 mM)
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 620.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 619.212 Da
• Monoisotopic Mass: 619.212 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 989.000
• 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