1-Benzyl-I3C

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

MedKoo CAT#: 558262

CAS#: 60941-76-6

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

Chemical Structure

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1-Benzyl-I3C
CAS# 60941-76-6
Instruction

Theoretical Analysis

MedKoo Cat#: 558262
Name: 1-Benzyl-I3C
CAS#: 60941-76-6
Chemical Formula: C16H15NO
Exact Mass: 237.12
Molecular Weight: 237.302
Elemental Analysis: C, 80.98; H, 6.37; N, 5.90; O, 6.74

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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

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).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 237.30 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:
In vitro protocol:
In vivo protocol:

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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.