SB 204990 - ≥98%(HPLC) , CAS No.154566-12-8

CAS: 154566-12-8 Cat. No.: S286623 Summenformel: C₁₈H₂₂Cl₂O₅ Molekulargewicht: 389.27 PubChem CID: 10340264

GRADE & PURITY ≥98%(HPLC)

Synonyms

(3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanacetic acid | SB-204990 | 2-[(3S,5R)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid | EX-A6876 | 3-Furanacetic acid, 5-(6-(2,4-dichlorophenyl)hexyl)tetrah

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanacetic acid | SB-204990 | 2-[(3S,5R)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid | EX-A6876 | 3-Furanacetic acid, 5-(6-(2,4-dichlorophenyl)hexyl)tetrah

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

SB-204990 is a cell-permeable and orally available γ-lactone prodrug of the non-cell-permeable SB-201076 that inhibits human and rat ATP citrate-lyase (Ki =1 μM against human and rat ACL) in a predominantly competitive manner with a small but significant

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%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528767029
• Kanonisches Lächeln: C1C(OC(=O)C1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl
• IUPAC Name: 2-[(3S,5R)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
• InChIKey: YTRNLFYTHYWDAU-KDOFPFPSSA-N
• INCHI: 1S/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/m1/s1
• Isomere SMILES: C1[C@H](OC(=O)[C@]1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl
• PubChem CID: 10340264
• Molekulargewicht: 389.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Gamma butyrolactones Dicarboxylic acids and derivatives Aryl chlorides Tertiary alcohols Oxolanes Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Gamma butyrolactone - Tertiary alcohol - Oxolane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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)

ACLY Tclin ATP-citrate synthase (168 Activities)

Discover Target: ACLY

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

PC-3 (62116 Activities)

Explore this target

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

SK-OV-3 (52876 Activities)

Explore this target

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

A549 (127892 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 38.93, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 38.93, Max Conc. mM: 100
• Molekulargewicht: 389.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 388.084 Da
• Monoisotopic Mass: 388.084 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 472.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Referenzen

1. Jun Li, Xiaomin Wang, Min Tan, Jianxiong Zheng, Jing Mao, Jiayao Hao, Haili Shen.  (2024)  Neutrophil extracellular traps in rheumatoid arthritis: Activating fibroblast-like synoviocytes via ATP citrate lyase.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:39522314] [10.1016/j.intimp.2024.113518]