MS-1020 - ≥95% , CAS No.1255516-86-9

CAS: 1255516-86-9 Cat. No.: M274728 분자식: C₂₁H₁₈N₂O₃ 분자량: 346.38 EC 번호: 694-418-6 PubChem CID: 73438566

등급 & 순도 ≥95%

Synonyms

1-HYDROXY-N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]NAPHTHALENE-2-CARBOXAMIDE | MS1020 | MS-1020 | AKOS040748975 | MS 1020 | NCGC00487351-01 | HY-123099 | CID 73438566 | 1255516-86-9

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

사양

동의어

1-HYDROXY-N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]NAPHTHALENE-2-CARBOXAMIDE | MS1020 | MS-1020 | AKOS040748975 | MS 1020 | NCGC00487351-01 | HY-123099 | CID 73438566 | 1255516-86-9

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Selective JAK3 inhibitor. Potently inhibits persistently-active STAT3 in a cell type-specific manner. Downregulates anti-apoptotic gene expression.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥95%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NCCC3=CNC4=C3C=C(C=C4)O

IUPAC Name

1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide

InChIKey

KHJNISGKGIHTMY-UHFFFAOYSA-N

INCHI

1S/C21H18N2O3/c24-15-6-8-19-18(11-15)14(12-23-19)9-10-22-21(26)17-7-5-13-3-1-2-4-16(13)20(17)25/h1-8,11-12,23-25H,9-10H2,(H,22,26)

이성체 SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NCCC3=CNC4=C3C=C(C=C4)O

PubChem CID

73438566

분자량

346.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives Hydroxyindoles 3-alkylindoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxamide - 1-naphthol - Hydroxyindole - Salicylic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up 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

화학 및 물리적 특성

• 용해성: Soluble in DMSO to 10 mM
• 분자량: 346.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 346.132 Da
• Monoisotopic Mass: 346.132 Da
• Topological Polar Surface Area: 85.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 500.000
• 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: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1255516-86-9, the molecular formula is C21H18N2O3, and the molecular weight is 346.38 g/mol. InChIKey KHJNISGKGIHTMY-UHFFFAOYSA-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.