CAS 1562066-98-1 Banoxantrone-[d12] dihydrochloride

General Information
Catalog: BLP-014032
CAS: 1562066-98-1
Molecular Formula: C22H18D12Cl2N4O6
Molecular Weight: 529.48

General Information

Catalog: BLP-014032

CAS: 1562066-98-1

Molecular Formula: C22H18D12Cl2N4O6

Molecular Weight: 529.48

Chemical Structure

Description	Banoxantrone-[d12] dihydrochloride is the labelled salt of Banoxantrone, which is a potent topoisomerase II inhibitor.
Synonyms	Banoxantrone D12 dihydrochloride; 1,4-Bis[[2-(dimethyloxidoamino)ethyl]amino]-5,8-dihydroxy-9,10-anthracenedione-d12 dihydrochloride; AQ4N-d12 dihydrochloride
IUPAC Name	2-[[5,8-dihydroxy-4-[2-[oxido-bis(trideuteriomethyl)azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]-N,N-bis(trideuteriomethyl)ethanamine oxide;dihydrochloride
Related CAS	252979-56-9 (unlabelled) 136470-65-0 (unlabelled free base)
Canonical SMILES	C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-].Cl.Cl
InChI	InChI=1S/C22H28N4O6.2ClH/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30;;/h5-8,23-24,27-28H,9-12H2,1-4H3;2*1H/i1D3,2D3,3D3,4D3;;
InChI Key	SBWCPHUXRZRTDP-BHITWGRESA-N
Purity	≥98%
Solubility	Soluble in DMSO
Storage	Store in a cool and dry place (or refer to the Certificate of Analysis).

Banoxantrone-[d12] dihydrochloride, a labeled compound crucial for scientific research, finds diverse applications in cancer and pharmacokinetics studies. Here are the key applications of Banoxantrone-[d12] dihydrochloride:

Pharmacokinetics Studies: Utilizing Banoxantrone-[d12] dihydrochloride in pharmacokinetic investigations unveils insights into the absorption, distribution, metabolism, and excretion (ADME) of anticancer agents. The stable isotopic labeling with deuterium enables precise tracking and quantification in biological samples, delivering accurate pharmacokinetic data critical for optimizing dosing regimens and mitigating side effects in cancer therapy.

Mechanism of Action Research: Delving into the cellular mechanisms of anthracenedione drugs, researchers leverage Banoxantrone-[d12] dihydrochloride to decipher the intricate pathways underpinning its cytotoxic effects. By unraveling how this compound interacts with DNA and cellular targets, scientists illuminate essential pathways, paving the way for the development of novel drugs with heightened efficacy and diminished toxicity profiles.

Drug Metabolism Studies: In the realm of drug metabolism research, Banoxantrone-[d12] dihydrochloride serves as a linchpin for identifying the metabolic pathways and biotransformation products of anthracenedione compounds. Employing cutting-edge analytical tools like mass spectrometry, researchers can detect and quantify both the parent drug and its metabolites, providing crucial insights into the drug's metabolic profile and potential interactions with other medications.

Radiolabeling Studies: Banoxantrone-[d12] dihydrochloride emerges as a pivotal precursor for synthesizing radiolabeled compounds in cancer research endeavors. By integrating radioactive isotopes, researchers can visualize the distribution and localization of the drug in tumor versus normal tissues through imaging modalities like PET or SPECT. This innovative approach enhances the evaluation of drug delivery efficacy and aids in refining therapeutic strategies for enhanced patient outcomes.