O4I1
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MedKoo CAT#: 522506

CAS#: 175135-47-4

Description: O4I1 is a potent inducer of Oct3/4. O4I1 enhanced Oct3/4 expression. O4I1 not only promoted expression and stabilization of Oct3/4 but also enhanced its transcriptional activity in diverse human somatic cells, implying the possible benefit from using this class of compounds in regenerative medicine. Reprogramming somatic cells into induced-pluripotent cells (iPSCs) provides new access to all somatic cell types for clinical application without any ethical controversy arising from the use of embryonic stem cells (ESCs).


Chemical Structure

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O4I1
CAS# 175135-47-4

Theoretical Analysis

MedKoo Cat#: 522506
Name: O4I1
CAS#: 175135-47-4
Chemical Formula: C16H15NO2
Exact Mass: 253.11
Molecular Weight: 253.301
Elemental Analysis: C, 75.87; H, 5.97; N, 5.53; O, 12.63

Price and Availability

Size Price Availability Quantity
100mg USD 750
200mg USD 1250
500mg USD 2150
1g USD 3250
2g USD 4950
5g USD 7850
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Synonym: O4I1; O4I-1; O4I 1

IUPAC/Chemical Name: 4-[(4-Methoxyphenyl)methoxy]benzeneacetonitrile

InChi Key: QJEJLARVLKHYFW-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: N#CCC1=CC=C(OCC2=CC=C(OC)C=C2)C=C1

Appearance: Light yellow solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Biological target: O4I1 is as a potent Oct3/4 inducer.
In vitro activity: Using a cell-based High Throughput Screening (HTS) campaign, this study identified that 2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile (1), termed O4I1, enhanced Oct3/4 expression. Structural verification and modification by chemical synthesis showed that O4I1 and its derivatives not only promoted expression and stabilization of Oct3/4 but also enhanced its transcriptional activity in diverse human somatic cells, implying the possible benefit from using this class of compounds in regenerative medicine. Reference: J Med Chem. 2015 Jun 25;58(12):4976-83. https://pubmed.ncbi.nlm.nih.gov/25898186/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 118.44
DMSO 39.7 156.60
DMSO:PBS (pH 7.2) (1:5) 0.2 0.63

Preparing Stock Solutions

The following data is based on the product molecular weight 253.30 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Cheng X, Dimou E, Alborzinia H, Wenke F, Göhring A, Reuter S, Mah N, Fuchs H, Andrade-Navarro MA, Adjaye J, Gul S, Harms C, Utikal J, Klipp E, Mrowka R, Wölfl S. Identification of 2-[4-[(4-Methoxyphenyl)methoxy]-phenyl]acetonitrile and Derivatives as Potent Oct3/4 Inducers. J Med Chem. 2015 Jun 25;58(12):4976-83. doi: 10.1021/acs.jmedchem.5b00144. Epub 2015 May 7. PMID: 25898186.
In vitro protocol: Cheng X, Dimou E, Alborzinia H, Wenke F, Göhring A, Reuter S, Mah N, Fuchs H, Andrade-Navarro MA, Adjaye J, Gul S, Harms C, Utikal J, Klipp E, Mrowka R, Wölfl S. Identification of 2-[4-[(4-Methoxyphenyl)methoxy]-phenyl]acetonitrile and Derivatives as Potent Oct3/4 Inducers. J Med Chem. 2015 Jun 25;58(12):4976-83. doi: 10.1021/acs.jmedchem.5b00144. Epub 2015 May 7. PMID: 25898186.
In vivo protocol: TBD

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1: Cheng X, Dimou E, Alborzinia H, Wenke F, Göhring A, Reuter S, Mah N, Fuchs H,
Andrade-Navarro MA, Adjaye J, Gul S, Harms C, Utikal J, Klipp E, Mrowka R, Wölfl
S. Identification of 2-[4-[(4-Methoxyphenyl)methoxy]-phenyl]acetonitrile and
Derivatives as Potent Oct3/4 Inducers. J Med Chem. 2015 Jun 25;58(12):4976-83.
doi: 10.1021/acs.jmedchem.5b00144. Epub 2015 May 7. PubMed PMID: 25898186.