4-IPP - 10mM in DMSO , CAS No.41270-96-6

CAS: 41270-96-6 Cat. No.: I423871 Fórmula: C₁₀H₇IN₂ Peso molecular: 282.08 Número CE: 803-980-5

GRADE & PURITY 10mM in DMSO

Synonyms

HY-110063 | D80476 | 4-IPP | AC-907/25004997 | CHEBI:91213 | HMS3677L22 | MIF Antagonist III | AKOS005266491 | SCHEMBL244108 | HMS3413L22 | SB60581 | PD021682 | 4-IPP (4-Iodo-6-phenylpyrimidine) | 4-iodo-6-phenylpyrimidine | 4-Iodo-6-phenyl-pyrimidine | Q

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

HY-110063 | D80476 | 4-IPP | AC-907/25004997 | CHEBI:91213 | HMS3677L22 | MIF Antagonist III | AKOS005266491 | SCHEMBL244108 | HMS3413L22 | SB60581 | PD021682 | 4-IPP (4-Iodo-6-phenylpyrimidine) | 4-iodo-6-phenylpyrimidine | 4-Iodo-6-phenyl-pyrimidine | Q

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

4-IPP is a cell permeable, potent macrophage migration inhibitory factor (MIF) antagonist that covalently modifies MIF N-terminal proline.

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

• Pubchem Sid: 528759883
• Sorrisos canónicos: C1=CC=C(C=C1)C2=CC(=NC=N2)I
• IUPAC Name: 4-iodo-6-phenylpyrimidine
• InChIKey: ZTCJXHNJVLUUMR-UHFFFAOYSA-N
• INCHI: 1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
• SMILES isoméricas: C1=CC=C(C=C1)C2=CC(=NC=N2)I
• WGK Alemanha: 3
• Peso molecular: 282.08
• Reaxy-Rn: 639160
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639160&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Halopyrimidines Benzene and substituted derivatives Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Halopyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

MIF Tchem Macrophage migration inhibitory factor (979 Activities)

Discover Target: MIF

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

MIF Tchem MIF/CD74 (Macrophage migration inhibitory factor and HLA-DR antigens-associated invariant chain) (99 Activities)

Discover Target: MIF

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: heat & light sensitive
• Peso molecular: 282.080 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.965 Da
• Monoisotopic Mass: 281.965 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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

Referências

1. Yunxi Liao, Chenyang Wu, Yang Li, Jinhua Wen, Dongyu Zhao.  (2023)  MIF is a critical regulator of mononuclear phagocytic infiltration in hepatocellular carcinoma.  iScience,      [PMID:37520719] [10.1016/j.isci.2023.107273]

2. Chen Chuan-jun, Guo Ding-wen, Yuan Qing-yun, Zhuo You-qiong, Yang Shi-fen, Xu Hao-min, Wang You-rong, Guan Xiao-hui, Deng Ke-yu, Xin Hong-bo.  (2026)  MIF tautomerase inhibitor 4-IPP alleviates HFD-induced obesity by restoring CD137-mediated browning of white adipocytes in mice.  ACTA PHARMACOLOGICA SINICA,      [PMID:41741765] [10.1038/s41401-026-01755-3]