UPCDC-30245 - ≥99% , CAS No.1883351-01-6

CAS: 1883351-01-6 Cat. No.: U651951 分子式: C₂₈H₃₈FN₅ 分子量: 463.63 EC番号: 110-738-6 PubChem CID: 114286471

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

UPCDC-30245 is an allosteric p97 inhibitor with an IC 50 of approximately 27 nM UPCDC-30245 inhibits the p97 mutant N660K similar to wild type (WT; IC 50 =300 nM) and shows 3-fold resistance for p97 mutant T688A . UPCDC-30245 can be used in the research of cancer

In Vitro

UPCDC-30245 binds at the junction between the D1 dan D2 domains of p97. UPCDC-30245 inhibits cell proliferation in HeLa, A549, BxPC-3, PRMI8226, MM1S, HCT116 cells, and appears more potent in HT29 cells. UPCDC-30245 (0.01-100 μM) shows anti-proliferative effects on parental and CB-5083 resistant HCT116 cell lines that harbor a new p97 double mutation (D649A/T688A). UPCDC-30245 (4 μm; 2, 6, 10, 18, 24 hours; functional enrichment analysis) is not linked to pathways typically impacted by p97 inhibition, such as protein processing in the ER, UPR, and asparagine N-linked glycosylation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:allosteric p97|27 nM (IC|50|)|wild type p97|300 nM (IC|50|)

Specifications

仕様と純度

≥99%

生化学的・生理学的メカニズム

UPCDC-30245 is an allosteric p97 inhibitor with an IC 50 of approximately 27 nM. UPCDC-30245 inhibits the p97 mutant N660K similar to wild type (WT; IC 50 =300 nM) and shows 3-fold resistance for p97 mutant T688A. UPCDC-30245 can be used in the

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

純度

≥99%

名前と識別子

• カノニカル・スマイル: CC(C)N1CCN(CC1)CCNC2CCN(CC2)C3=CC=CC(=C3)C4=CC5=C(N4)C=CC(=C5)F
• IUPAC Name: 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
• InChIKey: LZHXZCVDLATFAR-UHFFFAOYSA-N
• INCHI: 1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3
• 異性体SMILES: CC(C)N1CCN(CC1)CCNC2CCN(CC2)C3=CC=CC(=C3)C4=CC5=C(N4)C=CC(=C5)F
• PubChem CID: 114286471
• 分子量: 463.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpiperidines Phenylpyrroles Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Aminopiperidines Aryl fluorides Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - Phenylpiperidine - 2-phenylpyrrole - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 4-aminopiperidine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
• 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）

VCP Tchem Transitional endoplasmic reticulum ATPase (2 Activities)

Discover Target: VCP

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

Panel NCI-60 (60 carcinoma cell lines) (1088 Activities)

Explore this target

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

• 溶解度: DMSO : 200 mg/mL (431.38 mM; Need ultrasonic)
• 分子量: 463.600 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 463.311 Da
• Monoisotopic Mass: 463.311 Da
• Topological Polar Surface Area: 37.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 616.000
• 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

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1883351-01-6, the molecular formula is C28H38FN5, and the molecular weight is 463.63 g/mol. InChIKey LZHXZCVDLATFAR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.