ML604086 - ≥99% , CAS No.850330-18-6

CAS: 850330-18-6 Cat. No.: M649934 분자식: C₂₇H₃₂N₄O₄S 분자량: 508.63 PubChem CID: 57564362

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

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

이성체 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

분자량

508.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 120 mg/mL (235.93 mM; Need ultrasonic)

자주 묻는 질문

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.