ML604086 - ≥99% , CAS No.850330-18-6

CAS: 850330-18-6 Cat. No.: M649934 Formula: C₂₇H₃₂N₄O₄S Peso molecolare: 508.63 PubChem CID: 57564362

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

ML604086 is a selective CCR8 inhibitor, inhibiting CCL1 binding to CCR8 on circulating T-cells. ML604086 inhibits CCL1 mediated chemotaxis and increases in intracellular Ca 2+ concentrations

In Vitro

ML604086 (0-100 µM) inhibits CCL1 mediated chemotaxis and increases in intracellular Ca 2+ concentrations of cell lines stably expressing cyno CCR8 with IC 50 s of 1.3 µM and 1.0 µM, respectively. ML604086 (10, 30 µM; 64 h) inhibits CCL1 binding to CCR8 on CD4 T-cells, and inhibits the serotonin receptor 5HT1a with the inhibition rate of 30%, 70% at 10, 30 µM respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ML604086 (1.038 mg/kg; intravenous infusion) shows no effect on airway eosinophilia, pro-inflammatory cytokine production or airway resistance and compliance in Macaca fascicularis . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 3.0-5.0 kg male and female adult Macaca fascicularis (primate model\nof asthma)Dosage: 1.038 mg/kg Administration: Intravenous infusion Result: Did not effected the Changes in airway resistance and compliance induced by allergen provocation and increasing concentrations of methacholine.

Form:Solid

IC50& Target:CCR8

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

ML604086 is a selective CCR8 inhibitor, inhibiting CCL1 binding to CCR8 on circulating T-cells. ML604086 inhibits CCL1 mediated chemotaxis and increases in intracellular Ca 2+ concentrations.

Condizioni di conservazione di stoccaggio

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.

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CC1CN(CCC1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C)C(=O)C(C)N

IUPAC Name

N-[4-[[(3R,4R)-1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

InChIKey

FABRBEGQMXBELT-SELNLUPBSA-N

INCHI

1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-13-25(22-11-7-6-10-21(22)24)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18-,19+,23-/m1/s1

Isomeri SMILES

C[C@@H]1CN(CC[C@H]1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C)C(=O)[C@H](C)N

PubChem CID

57564362

Peso molecolare

508.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Alpha amino acid amides o-Toluamides N-acylpiperidines Benzamides Benzoyl derivatives Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Monoalkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acyl-piperidine - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Benzoyl - Toluene - Piperidine - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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: DMSO : 120 mg/mL (235.93 mM; Need ultrasonic)

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 850330-18-6, the molecular formula is C27H32N4O4S, and the molecular weight is 508.63 g/mol. InChIKey FABRBEGQMXBELT-SELNLUPBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.