Synonym
CLR1501; CLR-1501; CLR 1501;
IUPAC/Chemical Name
5,5-difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-3H,5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-5-uide
InChi Key
AGHVVSVUZMFQDB-UHFFFAOYSA-M
InChi Code
InChI=1S/C38H61BF2N3O4P/c1-44(2,3)31-33-48-49(45,46)47-32-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22-34-25-27-35(28-26-34)38-36-23-20-29-42(36)39(40,41)43-30-21-24-37(38)43/h20-21,23-29H,4-19,22,30-33H2,1-3H3,(H,45,46)/p-1
SMILES Code
O=P([O-])(OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCCCCC1=CC=C(C2=C3C=CCN3[B-](F)(F)N4C=CC=C24)C=C1
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
702.69
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.
| 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: Clark PA, Al-Ahmad AJ, Qian T, Zhang RR, Wilson HK, Weichert JP, Palecek SP, Kuo JS, Shusta EV. Analysis of Cancer-Targeting Alkylphosphocholine Analogue Permeability Characteristics Using a Human Induced Pluripotent Stem Cell Blood-Brain Barrier Model. Mol Pharm. 2016 Sep 6;13(9):3341-9. doi: 10.1021/acs.molpharmaceut.6b00441. Epub 2016 Aug 4. PubMed PMID: 27421304; PubMed Central PMCID: PMC5014630.
2: Swanson KI, Clark PA, Zhang RR, Kandela IK, Farhoud M, Weichert JP, Kuo JS. Fluorescent cancer-selective alkylphosphocholine analogs for intraoperative glioma detection. Neurosurgery. 2015 Feb;76(2):115-23; discussion 123-4. doi: 10.1227/NEU.0000000000000622. PubMed PMID: 25549194; PubMed Central PMCID: PMC4343207.
3: Lai HC, Zhang ZY, Wang F, Zhuang LF, Liu X. Resonance frequency analysis of stability on ITI implants with osteotome sinus floor elevation technique without grafting: a 5-month prospective study. Clin Oral Implants Res. 2008 May;19(5):469-75. doi: 10.1111/j.1600-0501.2007.01501.x. Epub 2008 Mar 26. PubMed PMID: 18371099.
