MedKoo Cat#: 572340 | Name: NUM 00537
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Description:

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

NUM 00537, also known as N-methyl-N'-(hydroxy-PEG2)-Cy5 is a cyanine labeled PEG derivative with excitation/emission maximum 649/667 nm containing a hydroxyl group. The hydroxyl group enables further derivatization or replacement with other reactive functional groups. The hydrophilic PEG spacer increases solubility in aqueous media and reduces steric hindrance during binding. 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

NUM 00537
NUM 00537
CAS#2107273-22-1

Theoretical Analysis

MedKoo Cat#: 572340

Name: NUM 00537

CAS#: 2107273-22-1

Chemical Formula: C32H41ClN2O3

Exact Mass: 536.2806

Molecular Weight: 537.14

Elemental Analysis: C, 71.56; H, 7.69; Cl, 6.60; N, 5.22; O, 8.94

Price and Availability

Size Price Availability Quantity
1mg USD 450.00 2 Weeks
5mg USD 900.00 2 Weeks
10mg USD 1,350.00 2 Weeks
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Synonym
N-methyl-N'-(hydroxy-PEG2)-Cy5; NUM 00537; NUM-00537; NUM00537
IUPAC/Chemical Name
2-((1E,3E)-5-((E)-1-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
InChi Key
NEMABWCDKYHROP-UHFFFAOYSA-M
InChi Code
InChI=1S/C32H41N2O3.ClH/c1-31(2)25-13-9-11-15-27(25)33(5)29(31)17-7-6-8-18-30-32(3,4)26-14-10-12-16-28(26)34(30)19-21-36-23-24-37-22-20-35;/h6-18,35H,19-24H2,1-5H3;1H/q+1;/p-1
SMILES Code
CC1(C)C(/C=C/C=C/C=C2N(CCOCCOCCO)C(C=CC=C3)=C3C/2(C)C)=[N+](C)C4=CC=CC=C41.[Cl-]
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, DMF, DCM, Water
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
More Info
Solubility: Water, DMSO, DMF, DCM Excitation maximum (nm): 649 Extinction coefficient and excitation maximum, Lmol-1cm-1: 107,000 Emission maximum (nm): 667
Product Data
Biological target:
N-Methyl-N'-(hydroxy-PEG2)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 537.14 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:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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.