MB05032 - ≥98% , CAS No.261365-11-1

CAS: 261365-11-1 Cat. No.: M125090 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)O
• Molecular Weight: 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
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 30.23, Max Conc. mM: 100
• Molecular Weight: 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