XUM 00856
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 572320

CAS#: NONE

Description: XUM 00856, also known as N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5 is a cyanine derivative with excitation/emission maximum 649/667 nm containing an alkyne group, which enables Click Chemistry to attach deeply colored and photostable Cyanine fluorophore to various molecules. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).


Chemical Structure

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XUM 00856
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 572320
Name: XUM 00856
CAS#: NONE
Chemical Formula: C47H67ClN2O10
Exact Mass: 854.4484
Molecular Weight: 855.51
Elemental Analysis: C, 65.99; H, 7.89; Cl, 4.14; N, 3.27; O, 18.70

Price and Availability

Size Price Availability Quantity
1.0mg USD 330.0 2 Weeks
5.0mg USD 900.0 2 Weeks
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Synonym: N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5; XUM 00856; XUM-00856; XUM00856

IUPAC/Chemical Name: 2-((1E,3E)-5-((E)-5-((2,5,8,11-tetraoxatridecan-13-yl)oxy)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-5-((3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy)-1,3,3-trimethyl-3H-indol-1-ium chloride

InChi Key: XQTUJSZRBUKFNO-UHFFFAOYSA-M

InChi Code: InChI=1S/C47H67N2O10.ClH/c1-9-19-51-22-23-53-26-27-55-29-31-57-33-35-59-39-16-18-43-41(37-39)47(4,5)45(49(43)7)14-12-10-11-13-44-46(2,3)40-36-38(15-17-42(40)48(44)6)58-34-32-56-30-28-54-25-24-52-21-20-50-8;/h1,10-18,36-37H,19-35H2,2-8H3;1H/q+1;/p-1

SMILES Code: C[N+]1=C(/C=C/C=C/C=C2N(C)C(C=CC(OCCOCCOCCOCCOC)=C3)=C3C/2(C)C)C(C)(C)C4=CC(OCCOCCOCCOCCOCC#C)=CC=C41.[Cl-]

Appearance: Solid powder

Purity: >96% (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, DMF, DCM

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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 855.51 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

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1: Chen X, Zhang X, Wang HY, Chen Z, Wu FG. Subcellular Fate of a Fluorescent Cholesterol-Poly(ethylene glycol) Conjugate: An Excellent Plasma Membrane Imaging Reagent. Langmuir. 2016 Oct 4;32(39):10126-10135. Epub 2016 Sep 21. PubMed PMID: 27597442.

2: Chen G, Wang L, Cordie T, Vokoun C, Eliceiri KW, Gong S. Multi-functional self-fluorescent unimolecular micelles for tumor-targeted drug delivery and bioimaging. Biomaterials. 2015 Apr;47:41-50. doi: 10.1016/j.biomaterials.2015.01.006. Epub 2015 Feb 4. PubMed PMID: 25682159; PubMed Central PMCID: PMC4329508.

3: Ruan S, Qian J, Shen S, Chen J, Zhu J, Jiang X, He Q, Yang W, Gao H. Fluorescent carbonaceous nanodots for noninvasive glioma imaging after angiopep-2 decoration. Bioconjug Chem. 2014 Dec 17;25(12):2252-9. doi: 10.1021/bc500474p. Epub 2014 Nov 11. PubMed PMID: 25387274.

4: Ruan S, Wan J, Fu Y, Han K, Li X, Chen J, Zhang Q, Shen S, He Q, Gao H. PEGylated fluorescent carbon nanoparticles for noninvasive heart imaging. Bioconjug Chem. 2014 Jun 18;25(6):1061-8. doi: 10.1021/bc5001627. Epub 2014 May 22. PubMed PMID: 24852402.

5: Paira TK, Saha A, Banerjee S, Das T, Das P, Jana NR, Mandal TK. Fluorescent amphiphilic PEG-peptide-PEG triblock conjugate micelles for cell imaging. Macromol Biosci. 2014 Jul;14(7):929-35. doi: 10.1002/mabi.201400083. Epub 2014 Mar 31. PubMed PMID: 24687698.

6: Okuda T, Kobayashi Y, Yanamoto S, Okamoto H. PEG conjugation of a near-infrared fluorescent probe for noninvasive dual imaging of lung deposition and gene expression by pulmonary gene delivery. J Drug Target. 2012 Nov;20(9):801-12. doi: 10.3109/1061186X.2012.722639. Epub 2012 Sep 26. PubMed PMID: 23009266.



Additional Information

Solubility: DMSO, DMF, DCM, low solubility in water
Excitation maximum (nm): 649
Extinction coefficient and excitation maximum, Lmol-1cm-1: 61200
Emission maximum (nm): 699