WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H556347
CAS#: 2111832-99-4 (HCl)
Description: CA4+ is a Cationic Iodinated Imaging Contrast Agent. CA+ is useful for Quantitative Computed Tomography of Ex Vivo Human Hip Cartilage. Contrast enhanced CT (CECT) using CA4+ reveals significantly greater agent uptake of CA4+ in articular cartilage compared to similar anionic or nonionic agents, and CA4+ uptake follows Donnan Equilibrium. The CA4+ CECT attenuation obtained from imaging ex vivo human hip cartilage correlates with the glycosaminoglycan (GAG) content, equilibrium modulus, and coefficient of friction: key indicators of cartilage functional performance and osteoarthritis stage. Finally, preliminary toxicity studies in a rat model show no adverse events and a pharmacokinetics study documents a peak plasma concentration at 30 minutes after dosing with the agent no longer present in vivo at 96 hours via excretion in the urine.
Hodoodo Cat#: H556347
Name: CA+ HCl
CAS#: 2111832-99-4 (HCl)
Chemical Formula: C27H36Cl4I6N10O6
Exact Mass: 0.00
Molecular Weight: 1,499.876
Elemental Analysis: C, 21.62; H, 2.42; Cl, 9.45; I, 50.77; N, 9.34; O, 6.40
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Related CAS #: 2111832-99-4 (HCl) 1176290-42-8 (cation) 2111827-98-4 (TFA),
Synonym: CA+, CA plus; CA+ HCl; CA+ hydrochloride; CA+ tetrahydrochloride; CA+ chloride;
IUPAC/Chemical Name: 5,5’-[Malonylbis(azanediyl)]bis[N1,N3-bis(2-aminoethyl)-2,4,6-triiodoisophthalamide tetrahydrochloride
InChi Key: YTKRPJCIYYPFPI-UHFFFAOYSA-N
InChi Code: InChI=1S/C27H32I6N10O6.4ClH/c28-16-12(24(46)38-5-1-34)18(30)22(19(31)13(16)25(47)39-6-2-35)42-10(44)9-11(45)43-23-20(32)14(26(48)40-7-3-36)17(29)15(21(23)33)27(49)41-8-4-37;;;;/h1-9,34-37H2,(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,44)(H,43,45);4*1H
SMILES Code: O=C(NC1=C(I)C(C(NCCN)=O)=C(I)C(C(NCCN)=O)=C1I)CC(NC2=C(I)C(C(NCCN)=O)=C(I)C(C(NCCN)=O)=C2I)=O.[H]Cl.[H]Cl.[H]Cl.[H]Cl
Appearance: To be determined
Purity: >90% (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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 1,499.88 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
Stewart RC, Patwa AN, Lusic H, Freedman JD, Wathier M, Snyder BD, Guermazi A, Grinstaff MW. Synthesis and Preclinical Characterization of a Cationic Iodinated Imaging Contrast Agent (CA4+) and Its Use for Quantitative Computed Tomography of Ex Vivo Human Hip Cartilage. J Med Chem. 2017 Jul 13;60(13):5543-5555. doi: 10.1021/acs.jmedchem.7b00234. Epub 2017 Jun 27. PMID: 28616978; PMCID: PMC6408935.
