MB05032 - ≥98% , CAS No.261365-11-1

CAS: 261365-11-1 Cat. No.: M125090 Formula: C₁₁H₁₅N₂O₄PS Peso molecolare: 302.29

GRADE & PURITY ≥98%

Synonyms

5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosphonic acid | MB 05032 | BDBM50293594 | F84965 | Geranylacetone, trans- | XJMYIJPPDSZOPN-UHFFFAOYSA-N | {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid | P-(5-(2-Amino-5-(2-methylp

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

MB05032 is a special and efficacious gluconeogenesis inhibitor targeted the AMP binding site of fructose 1,6-bisphosphatase (FBPase) with an IC50 value of 16 nM.

Specifications

Sinonimi

5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosphonic acid | MB 05032 | BDBM50293594 | F84965 | Geranylacetone, trans- | XJMYIJPPDSZOPN-UHFFFAOYSA-N | {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid | P-(5-(2-Amino-5-(2-methylp

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Potent FBPase inhibitor (EC50values are 1.6, 29 and 61 nM for human liver FBPase, human muscle FBPase and rat liver FBPase). Promotes hematopoietic stem cell and progenitor cell expansion. Increases engraftment in primary NSG mice recipients. Also enhance

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.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528765419
• Sorrisi canonici: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)O
• IUPAC Name: [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
• InChIKey: XJMYIJPPDSZOPN-UHFFFAOYSA-N
• INCHI: 1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
• Isomeri SMILES: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)O
• Peso molecolare: 302.29
• Reaxy-Rn: 11556280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11556280&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: 2-amino-1,3-thiazoles Organic phosphonic acids Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Furan - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Oxacycle - Organic oxygen compound - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• 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

Obiettivi associati (umani)

FBP1 Tchem Fructose-1,6-bisphosphatase 1 (8 Activities)

Discover Target: FBP1

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

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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Hdac6 Histone deacetylase 6 (222 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 30.23, Max Conc. mM: 100
• Peso molecolare: 302.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 302.049 Da
• Monoisotopic Mass: 302.049 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 365.000
• 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