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MedKoo Cat#: 464970 | Name: NEt-3IB

Description:

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

NEt-3IB is is a RXR Ligand (EC50: RXRα: 0.58 nM, RXRβ: 23 nM, RXRγ: 3 nM).

Chemical Structure

NEt-3IB
NEt-3IB
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464970

Name: NEt-3IB

CAS#: unknown

Chemical Formula: C22H29NO3

Exact Mass: 355.2147

Molecular Weight: 355.48

Elemental Analysis: C, 74.33; H, 8.22; N, 3.94; O, 13.50

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
NEt-3IB; NEt3IB; NEt 3IB;
IUPAC/Chemical Name
4-(ethyl(3-isobutoxy-4-isopropylphenyl)amino)benzoic acid
InChi Key
IEXWAKMGEJFXBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H29NO3/c1-6-23(18-9-7-17(8-10-18)22(24)25)19-11-12-20(16(4)5)21(13-19)26-14-15(2)3/h7-13,15-16H,6,14H2,1-5H3,(H,24,25)
SMILES Code
CC(C)C1=C(OCC(C)C)C=C(N(CC)C2=CC=C(C(O)=O)C=C2)C=C1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 355.48 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
1: Kobayashi T, Furusawa Y, Yamada S, Akehi M, Takenaka F, Sasaki T, Akahoshi A, Hanada T, Matsuura E, Hirano H, Tai A, Kakuta H. Positron emission tomography to elucidate pharmacokinetic differences of regioisomeric retinoid x receptor agonists. ACS Med Chem Lett. 2015 Jan 20;6(3):334-8. doi: 10.1021/ml500511m. PMID: 25815156; PMCID: PMC4360156. 2: Kawata K, Morishita K, Nakayama M, Yamada S, Kobayashi T, Furusawa Y, Arimoto-Kobayashi S, Oohashi T, Makishima M, Naitou H, Ishitsubo E, Tokiwa H, Tai A, Kakuta H. RXR partial agonist produced by side chain repositioning of alkoxy RXR full agonist retains antitype 2 diabetes activity without the adverse effects. J Med Chem. 2015 Jan 22;58(2):912-26. doi: 10.1021/jm501863r. Epub 2014 Dec 17. PMID: 25486327. 3: Kakuta H, Ohsawa F, Yamada S, Makishima M, Tai A, Yasui H, Yoshikawa Y. Feasibility of structural modification of retinoid X receptor agonists to separate blood glucose-lowering action from adverse effects: studies in KKA(y) type 2 diabetes model mice. Biol Pharm Bull. 2012;35(4):629-33. doi: 10.1248/bpb.35.629. PMID: 22466572. 4: Nakayama M, Yamada S, Ohsawa F, Ohta Y, Kawata K, Makishima M, Kakuta H. Discovery of a Potent Retinoid X Receptor Antagonist Structurally Closely Related to RXR Agonist NEt-3IB. ACS Med Chem Lett. 2011 Sep 27;2(12):896-900. doi: 10.1021/ml200197e. PMID: 24900278; PMCID: PMC4018080. 5: Ogasawara A, Murakami Y, Yakushiji N, Ohsawa F, Kusaba J, Aiba T, Kurosaki Y, Kakuta H. Pharmacokinetic properties of newly synthesized retinoid X receptor agonists possessing a 6-[N-ethyl-N-(3-alkoxy-4-isopropylphenyl)amino]nicotinic acid skeleton in rats. Drug Dev Ind Pharm. 2011 Sep;37(9):1060-7. doi: 10.3109/03639045.2011.559247. Epub 2011 Mar 21. PMID: 21417609. 6: Takamatsu K, Takano A, Yakushiji N, Morohashi K, Morishita K, Matsuura N, Makishima M, Tai A, Sasaki K, Kakuta H. The first potent subtype-selective retinoid X receptor (RXR) agonist possessing a 3-isopropoxy-4-isopropylphenylamino moiety, NEt-3IP (RXRalpha/beta-dual agonist). ChemMedChem. 2008 May;3(5):780-7. doi: 10.1002/cmdc.200700313. PMID: 18297677.