Name: Desmethyl Vc-seco-DUBA
Brand: BOC Sciences
Rating: 5 (1 reviews)

Synonyms

Desmethyl Vc-seco-DUBA

IUPAC Name

[(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate

Canonical SMILES

CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCN(CCOCCO)C(=O)OC2=CC3=C(C(CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)C7=CC=CC=C72)NC(=O)OCCOCCN8C(=O)C=CC8=O

InChI

InChI=1S/C64H73ClN12O17/c1-39(2)56(72-62(87)92-32-31-91-29-26-76-53(80)20-21-54(76)81)59(84)71-48(9-6-22-67-61(66)86)58(83)68-43-14-10-40(11-15-43)38-93-63(88)73(3)23-24-74(25-28-90-30-27-78)64(89)94-51-33-50-55(47-8-5-4-7-46(47)51)42(34-65)35-77(50)60(85)49-37-75-36-44(16-19-52(75)70-49)69-57(82)41-12-17-45(79)18-13-41/h4-5,7-8,10-21,33,36-37,39,42,48,56,78-79H,6,9,22-32,34-35,38H2,1-3H3,(H,68,83)(H,69,82)(H,71,84)(H,72,87)(H3,66,67,86)/t42-,48+,56+/m1/s1

InChIKey

KNCLRKFZKRQMMU-NZVNEKQFSA-N

Desmethyl Vc-seco-DUBA, a potent cytotoxic compound widely utilized in cancer research and drug development, boasts a myriad of crucial applications. Here are four key applications:

Antibody-Drug Conjugates (ADCs): The versatile nature of Desmethyl Vc-seco-DUBA allows it to be intricately conjugated to antibodies tailored to specific malignant cell markers, culminating in the creation of ADCs that meticulously target and obliterate cancer cells. This innovative strategy not only mitigates the risk of inadvertent harm to healthy tissues but also amplifies the therapeutic efficacy of cancer treatments. ADCs incorporating this compound represent a nuanced and potentially game-changing departure from conventional chemotherapy, promising heightened effectiveness and improved safety profiles.

Cancer Cell Line Studies: In the realm of preclinical exploration, Desmethyl Vc-seco-DUBA serves as a powerful tool for evaluating its cytotoxic impact on a diverse array of cancer cell lines. Researchers delve into its potency, mode of action, and cellular responses to gauge its therapeutic viability. These investigations are pivotal for unraveling the intricate dance between cancer cells and treatment modalities, paving the way for optimized dosage regimens and a deeper comprehension of treatment outcomes.

Drug Synergy Studies: Embracing a collaborative approach, Desmethyl Vc-seco-DUBA plays a pivotal role in synergy studies, where it is paired with various anticancer agents to appraise potential synergistic effects. The amalgamation of this compound with other drugs unveils synergies that accentuate efficacy while mitigating resistance in cancer cells.