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

CAS: 41270-96-6 Cat. No.: I423871 分子式: C₁₀H₇IN₂ 分子量: 282.08 EC番号: 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

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• パブケム・シド: 528759883
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=C(C=C1)C2=CC(=NC=N2)I
• WGKドイツ: 3
• 分子量: 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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 感度: heat & light sensitive
• 分子量: 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

参考文献

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]