WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H558262
CAS#: 60941-76-6
Description: 1-Benzyl-I3C is an inhibitor of NEDD4-1.
Hodoodo Cat#: H558262
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
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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: |
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.
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: |
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.