SBI-797812 - ≥98% , CAS No.2237268-08-3

CAS: 2237268-08-3 Cat. No.: S414308 Formula: C₁₉H₂₂N₄O₄S Peso molecolare: 402.47 PubChem CID: 135222620

GRADE & PURITY ≥98%

Synonyms

1-[4-(8-Oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl)-phenyl]-3-pyridin-4-ylmethylurea | N-[4-(8-Oxa-3-azabicyclo[3.2.1]oct-3-ylsulfonyl)phenyl]-N′-(4-pyridinylmethyl)-urea

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

SBI-797812 SBI-797812 is a NAMPT activator which is structurally similar to active-site directed NAMPT inhibitors and blocks binding of these inhibitors to NAMPT . SBI-797812 turns NAMPT into a "super catalyst" that more efficiently generates NMN.

SBI-797812 is an orally active nicotinamide phosphoribosyltransferase (NAMPT) activator. SBI-797812 shifts NAMPT to NMN formation, increases NAMPT affinity for ATP, stabilizes phosphorylated NAMPT, promotes consumption of the pyrophosphate by-product, and blunts feedback inhibition by NAD+. SBI-797812 increases intracellular nicotinamide mononucleotide (NMN) and elevates liver NAD+ in mice。

Targets

NAMPT

In vitro

SBI-797812 shifts the NAMPT reaction equilibrium towards NMN formation, increases NAMPT affinity for ATP, stabilizes phosphorylated NAMPT at His247, promotes consumption of the pyrophosphate by-product, and blunts feedback inhibition by NAD+. Treatment of cultured cells with SBI-797812 increases intracellular NMN and NAD+.

In vivo

Plasma concentrations of SBI-797812 after oral administration are low. Higher plasma levels of SBI-797812 are seen after i.p. dosing. The potency of SBI-797812 against mouse NAMPT is investigated. The apparent affinity (EC50) of SBI-797812 for mouse NAMPT is approximately 8-fold less than for human NAMPT, whereas maximal fold activation by SBI-797812 is comparable between the mouse and human NAMPT. Dosing of mice with SBI-797812 elevates liver NAD+.

Cell Research(from reference)

Cell lines：Human A549 lung carcinoma cells 

Concentrations：10 μM 

Incubation Time：4 h 

Specifications

Sinonimi

1-[4-(8-Oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl)-phenyl]-3-pyridin-4-ylmethylurea | N-[4-(8-Oxa-3-azabicyclo[3.2.1]oct-3-ylsulfonyl)phenyl]-N′-(4-pyridinylmethyl)-urea

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

SBI-797812 is a NAMPT activator which is structurally similar to active-site directed NAMPT inhibitors and blocks binding of these inhibitors to NAMPT. SBI-797812 turns NAMPT into a "super catalyst" that more efficiently generates NMN.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

0.702

Conteggio HBD

2

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

488202811

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202811

Sorrisi canonici

C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

IUPAC Name

1-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea

InChIKey

KTSOHNHLOLGQCY-UHFFFAOYSA-N

INCHI

1S/C19H22N4O4S/c24-19(21-11-14-7-9-20-10-8-14)22-15-1-5-18(6-2-15)28(25,26)23-12-16-3-4-17(13-23)27-16/h1-2,5-10,16-17H,3-4,11-13H2,(H2,21,22,24)

Isomeri SMILES

C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

PubChem CID

135222620

Peso molecolare

402.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: N-phenylureas Azepanes Pyridines and derivatives Morpholines Tetrahydrofurans Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - Benzenesulfonamide - Azepane - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Tetrahydrofuran - Sulfonyl - Organosulfonic acid or derivatives - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 80 mg/mL (198.77 mM); Ethanol: 2.5 mg/mL (6.21 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 80
• DMSO (mM) Solubilità massima: 198.772579322682
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 402.500 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 402.136 Da
• Monoisotopic Mass: 402.136 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 627.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 2237268-08-3, the molecular formula is C19H22N4O4S, and the molecular weight is 402.47 g/mol. InChIKey KTSOHNHLOLGQCY-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.