MedKoo Cat#: 620116 | Name: p-SCN-Bn-HOPO

Description:

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

p-SCN-Bn-HOPO is a superior bifunctional chelator for (89)Zr ImmunoPET. In vivo studies demonstrate the successful use of (89)Zr-HOPO-trastuzumab to image BT474 breast cancer with low background, good tumor to organ contrast, and, importantly, very low bone uptake. The reduced bone uptake seen with (89)Zr-HOPO-trastuzumab suggests superior stability of the (89)Zr-HOPO complex.

Chemical Structure

p-SCN-Bn-HOPO
p-SCN-Bn-HOPO
CAS#1822331-55-4

Theoretical Analysis

MedKoo Cat#: 620116

Name: p-SCN-Bn-HOPO

CAS#: 1822331-55-4

Chemical Formula: C43H45N9O12S

Exact Mass: 911.2908

Molecular Weight: 911.94

Elemental Analysis: C, 56.63; H, 4.97; N, 13.82; O, 21.05; S, 3.52

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
p-SCN-Bn-HOPO;
IUPAC/Chemical Name
1-hydroxy-N-(3-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-N-(4-(1-hydroxy-N-(3-(1-hydroxy-N-(4-isothiocyanatophenethyl)-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-6-oxo-1,6-dihydropyridine-2-carboxamido)butyl)-6-oxo-1,6-dihydropyridine-2-carboxamide
InChi Key
WHWUNEASNJESIC-UHFFFAOYSA-N
InChi Code
InChI=1S/C43H45N9O12S/c53-36-13-3-9-32(49(36)61)40(57)44-22-7-25-46(41(58)33-10-4-14-37(54)50(33)62)23-1-2-24-47(42(59)34-11-5-15-38(55)51(34)63)26-8-27-48(43(60)35-12-6-16-39(56)52(35)64)28-21-30-17-19-31(20-18-30)45-29-65/h3-6,9-20,61-64H,1-2,7-8,21-28H2,(H,44,57)
SMILES Code
O=C(C1=CC=CC(N1O)=O)N(CCCN(C(C2=CC=CC(N2O)=O)=O)CCCCN(C(C3=CC=CC(N3O)=O)=O)CCCNC(C4=CC=CC(N4O)=O)=O)CCC5=CC=C(N=C=S)C=C5
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
>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
Zirconium-89 has an ideal half-life for use in antibody-based PET imaging; however, when used with the chelator DFO, there is an accumulation of radioactivity in the bone, suggesting that the (89)Zr(4+) cation is being released in vivo. Therefore, a more robust chelator for (89)Zr could reduce the in vivo release and the dose to nontarget tissues.

Preparing Stock Solutions

The following data is based on the product molecular weight 911.94 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: Deri MA, Ponnala S, Kozlowski P, Burton-Pye BP, Cicek HT, Hu C, Lewis JS, Francesconi LC. p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET. Bioconjug Chem. 2015 Dec 16;26(12):2579-91. doi: 10.1021/acs.bioconjchem.5b00572. Epub 2015 Nov 25. PubMed PMID: 26550847; PubMed Central PMCID: PMC4962612.