MB05032 - ≥98% , CAS No.261365-11-1

CAS: 261365-11-1 Cat. No.: M125090 Fórmula: C₁₁H₁₅N₂O₄PS Peso molecular: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

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%

Nomes e identificadores

• Pubchem Sid: 528765419
• Sorrisos canónicos: 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)
• SMILES isoméricas: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)O
• Peso molecular: 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
• Descrição: 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

Alvos associados (humanos)

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

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rattus norvegicus (775804 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

Plasma (328 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 30.23, Max Conc. mM: 100
• Peso molecular: 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