ML291 - Moligand™, ≥98% , CAS No.1523437-16-2

CAS: 1523437-16-2 Cat. No.: M646804 分子式: C₁₆H₁₆ClN₃O₆S 分子量: 413.83 EC番号: 808-922-2 PubChem CID: 52940465

GRADE & PURITY Moligand™, ≥98%

Synonyms

1523437-16-2 | MLS003940499 | AKOS037643523 | KSC-220-24-1 | KUC109671N | cl-cob-III-194 | YKC43716 | KSC-325-040 | XKMLYHZJKCRLOI-UHFFFAOYSA-N | AS-16755 | HY-101991 | N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide | SMR0026327

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

ML291 is a UPR (unfolded protein response)-inducing sulfonamidebenzamide. ML291 overwhelms the adaptive capacity of the UPR and induces apoptosis in a variety of solid cancer models. ML291 can activate the PERK/eIF2a/CHOP (apoptotic) arm of the UPR and reduce leukemic cell burden.

Form:Solid

Specifications

同義語

1523437-16-2 | MLS003940499 | AKOS037643523 | KSC-220-24-1 | KUC109671N | cl-cob-III-194 | YKC43716 | KSC-325-040 | XKMLYHZJKCRLOI-UHFFFAOYSA-N | AS-16755 | HY-101991 | N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide | SMR0026327

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

ML291 is a UPR (unfolded protein response)-inducing sulfonamidebenzamide. ML291 overwhelms the adaptive capacity of the UPR and induces apoptosis in a variety of solid cancer models. ML291 can activate the PERK/eIF2a/CHOP (apoptotic) arm of the UPR and re

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ACTIVATOR

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CN(CCC1Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

IUPAC Name

N-[4-(4-chloropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide

InChIKey

XKMLYHZJKCRLOI-UHFFFAOYSA-N

INCHI

1S/C16H16ClN3O6S/c17-11-7-9-19(10-8-11)27(24,25)13-3-1-12(2-4-13)18-16(21)14-5-6-15(26-14)20(22)23/h1-6,11H,7-10H2,(H,18,21)

異性体SMILES

C1CN(CCC1Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

WGKドイツ

3

PubChem CID

52940465

分子量

413.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds Nitrofurans Piperidines Organosulfonamides Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Alkyl chlorides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Piperidine - Organosulfonic acid amide - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : ≥ 50 mg/mL (120.82 mM)
• 感度: Air sensitive
• 分子量: 413.800 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 413.045 Da
• Monoisotopic Mass: 413.045 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 648.000
• 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

よくある質問

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 1523437-16-2, the molecular formula is C16H16ClN3O6S, and the molecular weight is 413.83 g/mol. InChIKey XKMLYHZJKCRLOI-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.