O4I1 - ≥98% , CAS No.175135-47-4

CAS: 175135-47-4 Cat. No.: O413882 分子式: C₁₆H₁₅NO₂ 分子量: 253.3 EC番号: 891-076-1

GRADE & PURITY ≥98%

Synonyms

A881638 | EX-A5623 | Z291786494 | 2-(4-[(4-Methoxybenzyl)oxy]phenyl)acetonitrile | Maybridge1_001630 | HY-18771 | 2-(4-((4-Methoxybenzyl)oxy)phenyl)acetonitrile | FT-0610904 | O4I1 | O4I-1 | 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile | 2-[4-[(4-Me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

O4I1 O4I1 is a potent Oct3/4 inducer.

Targets

OCT4 ; OCT3

In vitro

O4I1 enhances Oct3/4 gene expression by approximately 2.5- and 4-fold at 10 μM and 20 μM, respectively, increases Oct3/4 protein levels, and promotes Oct3/4 mediated transcriptional activation.

Specifications

同義語

A881638 | EX-A5623 | Z291786494 | 2-(4-[(4-Methoxybenzyl)oxy]phenyl)acetonitrile | Maybridge1_001630 | HY-18771 | 2-(4-((4-Methoxybenzyl)oxy)phenyl)acetonitrile | FT-0610904 | O4I1 | O4I-1 | 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile | 2-[4-[(4-Me

仕様と純度

≥98%

生化学的・生理学的メカニズム

O4I1 is a potent Oct3/4 inducer.

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

≥98%

名前と識別子

• パブケム・シド: 504761885
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504761885
• カノニカル・スマイル: COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
• IUPAC Name: 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
• InChIKey: QJEJLARVLKHYFW-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3
• 異性体SMILES: COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
• 分子量: 253.3
• Reaxy-Rn: 14502312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14502312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzyl cyanides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyl cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl cyanides
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by 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）

HEK293 (82097 Activities)

Explore this target

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

HFF (3142 Activities)

Explore this target

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

POU5F1 Tbio POU domain, class 5, transcription factor 1 (69 Activities)

Discover Target: POU5F1

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

NANOG Tbio Homeobox protein NANOG (2 Activities)

Discover Target: NANOG

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

• 溶解度: Solubility (25°C) In vitro DMSO: 51 mg/mL (201.34 mM); Ethanol: 1 mg/mL warmed with 50ºC Water: bath (3.94 mM); Water: Insoluble
• 分子量: 253.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 293.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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 175135-47-4, the molecular formula is C16H15NO2, and the molecular weight is 253.3 g/mol. InChIKey QJEJLARVLKHYFW-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.