1-Benzyl-I3C

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526103

CAS#: 60941-76-6

Description: 1-Benzyl-I3C is an inhibitor of NEDD4-1.


Price and Availability

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1-Benzyl-I3C is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 526103
Name: 1-Benzyl-I3C
CAS#: 60941-76-6
Chemical Formula: C16H15NO
Exact Mass: 237.1154
Molecular Weight: 237.302
Elemental Analysis: C, 80.98; H, 6.37; N, 5.90; O, 6.74


Synonym: 1-Benzyl-I3C

IUPAC/Chemical Name: (1-Benzyl-1H-indol-3-yl)-methanol

InChi Key: DXCRDLUQTDLMKZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H15NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11,18H,10,12H2

SMILES Code: OCC1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3


Technical Data

Appearance:
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

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).

Harmonized System Code:
293490


References

1: Quirit JG, Lavrenov SN, Poindexter K, Xu J, Kyauk C, Durkin KA, Aronchik I, Tomasiak T, Solomatin YA, Preobrazhenskaya MN, Firestone GL. Indole-3-carbinol (I3C) analogues are potent small molecule inhibitors of NEDD4-1 ubiquitin ligase activity that disrupt proliferation of human melanoma cells. Biochem Pharmacol. 2017 Mar 1;127:13-27. doi: 10.1016/j.bcp.2016.12.007. Epub 2016 Dec 12. PubMed PMID: 27979631.

2: Aronchik I, Chen T, Durkin KA, Horwitz MS, Preobrazhenskaya MN, Bjeldanes LF, Firestone GL. Target protein interactions of indole-3-carbinol and the highly potent derivative 1-benzyl-I3C with the C-terminal domain of human elastase uncouples cell cycle arrest from apoptotic signaling. Mol Carcinog. 2012 Nov;51(11):881-94. doi: 10.1002/mc.20857. Epub 2011 Oct 19. PubMed PMID: 22012859.

3: Nguyen HH, Lavrenov SN, Sundar SN, Nguyen DH, Tseng M, Marconett CN, Kung J, Staub RE, Preobrazhenskaya MN, Bjeldanes LF, Firestone GL. 1-Benzyl-indole-3-carbinol is a novel indole-3-carbinol derivative with significantly enhanced potency of anti-proliferative and anti-estrogenic properties in human breast cancer cells. Chem Biol Interact. 2010 Aug 5;186(3):255-66. doi: 10.1016/j.cbi.2010.05.015. Epub 2010 Jun 2. PubMed PMID: 20570586; PubMed Central PMCID: PMC3422669.