NC-174

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MedKoo CAT#: 525740

CAS#: 138460-25-0

Description: NC-174 is a trisubstituted guanidine high potency synthetic sweetener.


Price and Availability

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Pricing updated 2020-10-30. Prices are subject to change without notice.

NC-174 is not in stock, but 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#: 525740
Name: NC-174
CAS#: 138460-25-0
Chemical Formula: C23H22N4O2
Exact Mass: 386.17428
Molecular Weight: 386.455
Elemental Analysis: C, 71.48; H, 5.74; N, 14.50; O, 8.28


Synonym: CP-Dpm-GA; CPDpmGA; CP-DpmGA; CPDpm-GA; CP Dpm GA; NC174; NC 174; NC-174

IUPAC/Chemical Name: 1-benzhydryl-3-(4-cyanophenyl)guanidine acetate

InChi Key: NUCOSJFXFRHRRE-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H18N4.C2H4O2/c22-15-16-11-13-19(14-12-16)24-21(23)25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-2(3)4/h1-14,20H,(H3,23,24,25);1H3,(H,3,4)

SMILES Code: N=C(NC(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC=C(C#N)C=C3.CC(O)=O


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, not in water

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


References

1: Gokulan K, Khare S, Ronning DR, Linthicum SD, Sacchettini JC, Rupp B. Cocrystal structures of NC6.8 Fab identify key interactions for high potency sweetener recognition: implications for the design of synthetic sweeteners. Biochemistry. 2005 Jul 26;44(29):9889-98. PubMed PMID: 16026161.
2: Rojnuckarin A, Livesay DR, Subramaniam S. Bimolecular reaction simulation using Weighted Ensemble Brownian dynamics and the University of Houston Brownian Dynamics program. Biophys J. 2000 Aug;79(2):686-93. PubMed PMID: 10920003; PubMed Central PMCID: PMC1300969.
3: Viswanathan M, Linthicum DS, Subramaniam S. Analysis of correlated motion in antibody combining sites from molecular dynamics simulations. Methods. 2000 Mar;20(3):362-71. PubMed PMID: 10694457.
4: Livesay D, Linthicum S, Subramaniam S. pH dependence of antibody: hapten association. Mol Immunol. 1999 Apr;36(6):397-410. PubMed PMID: 10444003.
5: Pledger DW, Brodnicki TC, Graham BL, Tetin S, Kranz DM, Linthicum DS. Construction and characterization of two anti-sweetener single chain antibodies using radioligand binding, fluorescence and circular dichroism spectroscopy. J Mol Recognit. 1999 Jul-Aug;12(4):258-66. PubMed PMID: 10440997.
6: Sotriffer CA, Liedl KR, Linthicum DS, Rode BM, Varga JM. Ligand-induced domain movement in an antibody Fab: molecular dynamics studies confirm the unique domain movement observed experimentally for Fab NC6.8 upon complexation and reveal its segmental flexibility. J Mol Biol. 1998 May 1;278(2):301-6. PubMed PMID: 9571052.
7: Anchin JM, Nagarajan S, Carter J, Kellogg MS, DuBois GE, Linthicum DS. Recognition of superpotent sweetener ligands by a library of monoclonal antibodies. J Mol Recognit. 1997 Sep-Oct;10(5):235-42. PubMed PMID: 9587873.
8: Viswanathan M, Subramaniam S, Pledger DW, Tetin SY, Linthicum DS. Modeling the structure of the combining site of an antisweet taste ligand monoclonal antibody NC10.14. Biopolymers. 1996 Sep;39(3):395-406. PubMed PMID: 8756519.
9: Tetin SY, Linthicum DS. Circular dichroism spectroscopy of monoclonal antibodies that bind a superpotent guanidinium sweetener ligand. Biochemistry. 1996 Jan 30;35(4):1258-64. PubMed PMID: 8573581.
10: Viswanathan M, Anchin JM, Droupadi PR, Mandal C, Linthicum DS, Subramaniam S. Structural predictions of the binding site architecture for monoclonal antibody NC6.8 using computer-aided molecular modeling, ligand binding, and spectroscopy. Biophys J. 1995 Sep;69(3):741-53. PubMed PMID: 8519975; PubMed Central PMCID: PMC1236304.
11: Droupadi PR, Linthicum DS. Absorption spectroscopy of the complexation between superpotent guanidinium sweeteners and specific monoclonal antibodies. Int J Biochem Cell Biol. 1995 Apr;27(4):351-7. PubMed PMID: 7788557.
12: Anchin JM, Mandal C, Culberson C, Subramaniam S, Linthicum DS. Computer-aided molecular modeling of the binding site architecture for eight monoclonal antibodies that bind a high potency guanidinium sweetener. J Mol Graph. 1994 Dec;12(4):257-66, 289-90. PubMed PMID: 7696216.
13: Anchin JM, Droupadi PR, DuBois GE, Kellogg MS, Nagarajan S, Carter JS, Linthicum DS. Identification of residues in monoclonal antibody NC10.8 that bind to the sweetener N-(p-cyanophenyl)-N'-(diphenylmethyl)guanidinoacetic acid by using radioligand binding, absorption and fluorescence spectroscopy, computer-aided molecular modeling, and site-directed mutagenesis. J Immunol. 1994 Oct 1;153(7):3059-69. PubMed PMID: 8089487.
14: Guddat LW, Shan L, Anchin JM, Linthicum DS, Edmundson AB. Local and transmitted conformational changes on complexation of an anti-sweetener Fab. J Mol Biol. 1994 Feb 11;236(1):247-74. PubMed PMID: 7893280.
15: Anchin JM, Linthicum DS. Variable region sequence and characterization of monoclonal antibodies to a N,N',N"-trisubstituted guanidine high potency sweetener. Mol Immunol. 1993 Nov;30(16):1463-71. PubMed PMID: 8232332.
16: Droupadi PR, Anchin JM, Meyers EA, Linthicum DS. Spectrofluorimetric study of the intermolecular complexation of monoclonal antibodies with the high potency sweetener N-(p-cyanophenyl)-N'-(diphenylmethyl) guanidineacetic acid. J Mol Recognit. 1992 Dec;5(4):173-9. PubMed PMID: 1339485.