N 111

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

MedKoo CAT#: 535235

CAS#: 57471-01-9

Description: N 111 is a bioactive chemical.


Chemical Structure

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N 111
CAS# 57471-01-9

Theoretical Analysis

MedKoo Cat#: 535235
Name: N 111
CAS#: 57471-01-9
Chemical Formula: C20H33N3O4
Exact Mass: 379.25
Molecular Weight: 379.501
Elemental Analysis: C, 63.30; H, 8.77; N, 11.07; O, 16.86

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: N 111; N-111; N111

IUPAC/Chemical Name: 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-(tert-butyl)urea

InChi Key: HJFOOUMUEFZBDQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H33N3O4/c1-13(24)16-10-14(22-18(26)23-20(5,6)7)8-9-17(16)27-12-15(25)11-21-19(2,3)4/h8-10,15,21,25H,11-12H2,1-7H3,(H2,22,23,26)

SMILES Code: O=C(NC1=CC=C(OCC(O)CNC(C)(C)C)C(C(C)=O)=C1)NC(C)(C)C

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: >3 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 379.50 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: Shahed SMF, Beniya A, Hirata H, Watanabe Y. Morphology of size-selected Ptn clusters on CeO2(111). J Chem Phys. 2018 Mar 21;148(11):114702. doi: 10.1063/1.5017906. PMID: 29566501.


2: Leung K. 111In- Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid-Phe(4-NO2)-cyclo(D-Cys-Tyr-D-Trp-Lys-Thr-Cys)-D-Tyr- NH2. 2009 Sep 5 [updated 2009 Oct 15]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641841.


3: Cheng KT. [111In-1,4,7,10-Tetraazacyclododecane-N,N' ,N'',N'''-tetraacetic acid- Pro1,Tyr4]Bombesin. 2007 Oct 23 [updated 2007 Nov 13]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641605.


4: Cheng KT. 111In- Tetraazacyclododecane-N,N’,N’’,N’’’-tetraacetic acid-HHEAYGWMDF-NH2 peptide. 2007 Apr 23 [updated 2008 Apr 3]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641328.


5: Cheng KT. 111In- Tetraazacyclododecane-N,N’,N’’,N’’’-tetraacetic acid-HHHHHH-EAYGWMDF-NH2 peptide. 2007 Apr 23 [updated 2008 Apr 3]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641278.


6: Leung K. 111In- Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid-c(D-Cys-Phe-Tyr-D-AgI8(Me,2-naphthoyl)-Lys-Thr-Phe-Cys)-OH. 2009 Aug 5 [updated 2009 Oct 15]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004–2013. PMID: 20641886.