STF083010 - ≥98%(HPLC) , CAS No.307543-71-1

CAS: 307543-71-1 Cat. No.: S135610 Formule: C₁₅H₁₁NO₃S₂ Poids moléculaire: 317.38 Numéro CE: 803-617-0 PubChem CID: 135398515

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-((2-Hydroxynaphthalen-1-yl)methylene)thiophene-2-sulfonamide | CCG-267670 | HY-15845 | EX-A1923 | STK392249 | stf 083010 | REGID_for_CID_6537512 | AKOS001671555 | MLS000530655 | (E)-N-((2-hydroxynaphthalen-1-yl)methylene)thiophene-2-sulfonamide | BDBM50

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

N-((2-Hydroxynaphthalen-1-yl)methylene)thiophene-2-sulfonamide | CCG-267670 | HY-15845 | EX-A1923 | STK392249 | stf 083010 | REGID_for_CID_6537512 | AKOS001671555 | MLS000530655 | (E)-N-((2-hydroxynaphthalen-1-yl)methylene)thiophene-2-sulfonamide | BDBM50

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibitor of IRE1αendonuclease activity; blocks endogenous XBP1 mRNA splicing. Displays cytostatic and cytotoxic effects in CD138+multiple myeloma (MM) cellsin vitro; inhibits bortezomib-induced XBP1 activity in myeloma xenograftsin vivo. Does not alter I

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504773226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773226
• Sourires canoniques: C1=CC=C2C(=C1)C=CC(=C2C=NS(=O)(=O)C3=CC=CS3)O
• IUPAC Name: (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide
• InChIKey: TVIVJHZHPKNDAQ-MHWRWJLKSA-N
• INCHI: 1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H/b16-10+
• Isomères SMILES: C1=CC=C2C(=C1)C=CC(=C2/C=N/S(=O)(=O)C3=CC=CS3)O
• WGK Allemagne: 3
• PubChem CID: 135398515
• Poids moléculaire: 317.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Thiophenes Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Thiophene - Sulfonyl - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Cibles associées (humaines)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)

Discover Target: ERN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

Discover Target: Tdo2

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 31.74, Max Conc. mM: 100
• Poids moléculaire: 317.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 317.018 Da
• Monoisotopic Mass: 317.018 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 486.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 307543-71-1, the molecular formula is C15H11NO3S2, and the molecular weight is 317.38 g/mol. InChIKey TVIVJHZHPKNDAQ-MHWRWJLKSA-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.