SIS17 - ≥98% , CAS No.2374313-54-7

CAS: 2374313-54-7 Cat. No.: S413586 Fórmula: C₂₁H₃₈N₂OS  Peso molecular: 366.6 PubChem CID: 139035087

GRAU & PUREZA ≥98%

Synonyms

DTXSID701238689 | N'-Hexadecylthiophene-2-carbohydrazide | 2-Thiophenecarboxylic acid, 2-hexadecylhydrazide | BS-16273 | s6687 | D70091 | HY-128918 | MFCD32201127 | ZUD31354 | SIS 17; SIS17 | BDBM50565135 | EX-A6309 | SIS17 | SIS-17 | 2374313-54-7 | BCP31

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

SIS17 SIS17 is a mammalian histone deacetylase 11 (HDAC 11) -specific inhibitor with IC50 of 0.83 μM. SIS17 inhibits the demyristoylation of HDAC11 substrate, serine hydroxymethyl transferase 2, without inhibiting other HDACs.

Targets

HDAC11 (Cell-free assay) 0.83 μM

Especificações

Sinónimos

DTXSID701238689 | N'-Hexadecylthiophene-2-carbohydrazide | 2-Thiophenecarboxylic acid, 2-hexadecylhydrazide | BS-16273 | s6687 | D70091 | HY-128918 | MFCD32201127 | ZUD31354 | SIS 17; SIS17 | BDBM50565135 | EX-A6309 | SIS17 | SIS-17 | 2374313-54-7 | BCP31

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

SIS17 is a mammalian histone deacetylase 11 (HDAC 11)-specific inhibitor with IC50 of 0.83 μM. SIS17 inhibits the demyristoylation of HDAC11 substrate, serine hydroxymethyl transferase 2, without inhibiting other HDACs.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Propriedades do produto

ALogP

7.302

Contagem HBD

2

Ligação rotativa

17

Nomes e identificadores

Pubchem Sid

504773557

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773557

Sorrisos canónicos

CCCCCCCCCCCCCCCCNNC(=O)C1=CC=CS1

IUPAC Name

N'-hexadecylthiophene-2-carbohydrazide

InChIKey

HSHXDCVZWHOWCS-UHFFFAOYSA-N

INCHI

1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24)

SMILES isoméricas

CCCCCCCCCCCCCCCCNNC(=O)C1=CC=CS1

PubChem CID

139035087

Peso molecular

366.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxamide - Heteroaromatic compound - Thioenolether - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Alvos associados (humanos)

HDAC11 Tclin Histone deacetylase 11 (1 Activities)

Discover Target: HDAC11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

HDAC10 Tclin Histone deacetylase 10 (801 Activities)

Discover Target: HDAC10

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

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

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

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

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

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

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

HDAC9 Tclin Histone deacetylase 9 (708 Activities)

Discover Target: HDAC9

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

HDAC11 Tclin Histone deacetylase 11 (967 Activities)

Discover Target: HDAC11

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

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

Discover Target: HDAC7

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

Alvos associados (não humanos)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 73 mg/mL (199.12 mM); Ethanol: 18 mg/mL (49.09 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 73
• DMSO (mM) Solubilidade máxima: 199.127114020731
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 366.600 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 366.27 Da
• Monoisotopic Mass: 366.27 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 312.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 2374313-54-7, the molecular formula is C21H38N2OS?, and the molecular weight is 366.6 g/mol. InChIKey HSHXDCVZWHOWCS-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.