(S)-Selisistat - ≥98% , CAS No.848193-68-0

CAS: 848193-68-0 Cat. No.: S651576 Summenformel: C₁₃H₁₃ClN₂O Molekulargewicht: 248.71

GRADE & PURITY ≥98%

Synonyms

HY-15452A | Selisistat, (S)- | BRD-K76964878-001-01-8 | BDBM50309833 | MS-23523 | EX-527 (S-enantiomer) | EX-527 (S) | EX-527(S) | 4bvb | Selisistat S-enantiomer(EX-527 S-enantiomer) | (S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | EX-527 S-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC 50 of 98 nM.

In Vitro

(S)-Selisistat is an inhibitor of SIRT1 enzymatic activity (IC 50 , 98 nM), identified in a high-throughput screen using bacterially expressed human SIRT1. (S)-Selisistat inhibits SIRT1 in a concentration-dependent manner with an IC 50 of 38 nM, in agreement with the activity on bacterially expressed SIRT1. (S)-Selisistat has much lower potency against SIRT2 (IC 50 , 19.6 μM) or SIRT3 (IC 50 , 48.7 μM) but does not inhibit class I/II HDAC activity at concentrations up to 100 μM. (S)-Selisistat exerts an inhibitory effect on SIRT1 activity without affecting SIRT1 expression on both mRNA and protein levels. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

(S)-Selisistat abolishes Resveratrol (RSV)-induced attenuation of microvascular inflammation in ob/ob septic mice. Finally, ob/ob mice in Sepsis+RSV group has significantly increased 7-day survival vs. Sepsis+Vehicle group. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:SIRT1 98 nM (IC 50 )

Specifications

Synonyme

HY-15452A | Selisistat, (S)- | BRD-K76964878-001-01-8 | BDBM50309833 | MS-23523 | EX-527 (S-enantiomer) | EX-527 (S) | EX-527(S) | 4bvb | Selisistat S-enantiomer(EX-527 S-enantiomer) | (S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide | EX-527 S-

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC 50 of 98 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N

IUPAC Name

(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

InChIKey

FUZYTVDVLBBXDL-VIFPVBQESA-N

INCHI

1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1

Isomere SMILES

C1C[C@@H](C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N

Alternative CAS-Nummer

848193-68-0

Molekulargewicht

248.71

Reaxy-Rn

416178

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=416178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 3-alkylindole - Indole - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a 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

Zugehörige Ziele (menschlich)

SIRT1 Tchem NAD-dependent protein deacetylase sirtuin-1 (1 Activities)

Discover Target: SIRT1

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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

Zugehörige Ziele (nicht menschlich)

Caenorhabditis elegans (1055 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 100 mg/mL (402.07 mM)
• Molekulargewicht: 248.710 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 248.072 Da
• Monoisotopic Mass: 248.072 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 323.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

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 848193-68-0, the molecular formula is C13H13ClN2O, and the molecular weight is 248.71 g/mol. InChIKey FUZYTVDVLBBXDL-VIFPVBQESA-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.