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MedKoo Cat#: 525740 | Name: NC-174

Description:

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

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

Chemical Structure

NC-174
NC-174
CAS#138460-25-0

Theoretical Analysis

MedKoo Cat#: 525740

Name: NC-174

CAS#: 138460-25-0

Chemical Formula: C23H22N4O2

Exact Mass: 386.1743

Molecular Weight: 386.46

Elemental Analysis: C, 71.48; H, 5.74; N, 14.50; O, 8.28

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.
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Related CAS #
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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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 386.46 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: 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.

View History

NC-1300-B

NC-1300-B