IU1 - Moligand™, ≥98%(HPLC) , Inhibitor of ubiquitin specific peptidase 14, CAS No.314245-33-5, Inhibitor of ubiquitin specific peptidase 14

CAS: 314245-33-5 Cat. No.: I169504 Peso molecular: 300.37 Número EC: 686-043-1

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BDBM50437694 | HMS2742M13 | Usp14 inhibitor | AMY24153 | NCGC00249377-08 | HMS3743A07 | EN300-72884 | MFCD01917473 | SR-01000010584 | 1-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(pyrrolidin-1-yl)ethanone | SCHEMBL6923146 | EX-A2079 | MLS001032847

Storage

Room temperature

Shipped In

Normal

Descripción general

IU1 is a special Usp14 inhibitor with an IC50 of 4-5 μM.

Specifications

Sinónimos

BDBM50437694 | HMS2742M13 | Usp14 inhibitor | AMY24153 | NCGC00249377-08 | HMS3743A07 | EN300-72884 | MFCD01917473 | SR-01000010584 | 1-(1-(4-fluorophenyl)-2, 5-dimethyl-1H-pyrrol-3-yl)-2-(pyrrolidin-1-yl)ethanone | SCHEMBL6923146 | EX-A2079 | MLS001032847

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective, reversible Usp14 inhibitor (IC 50 = 4 μM). Enhances degradation of proteasome substrates. Reduces rate of ubiquitin chain trimming bound to cyclin B or other ubiquitin chains. Active in vitro . Cell-permeable.IU1 is an inhibitor of USP14, a deu

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of ubiquitin specific peptidase 14

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488191043
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191043
• Sonrisas canónicas: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCC3
• IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
• InChIKey: JUWDSDKJBMFLHE-UHFFFAOYSA-N
• INCHI: 1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCC3
• WGK Alemania: 3
• Peso molecular: 300.37
• Reaxy-Rn: 21391902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21391902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Aryl alkyl ketones Fluorobenzenes N-alkylpyrrolidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrole - Aryl alkyl ketone - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Objetivos asociados (humanos)

USP14 Tchem Ubiquitin carboxyl-terminal hydrolase 14 (1 Activities)

Discover Target: USP14

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

USP5 Tchem Ubiquitin carboxyl-terminal hydrolase 5 (172 Activities)

Discover Target: USP5

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

USP14 Tchem Ubiquitin carboxyl-terminal hydrolase 14 (35 Activities)

Discover Target: USP14

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

Objetivos asociados (no 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

Plasmodium falciparum (966862 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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 300.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 300.164 Da
• Monoisotopic Mass: 300.164 Da
• Topological Polar Surface Area: 25.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 389.000
• 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