WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 591310
CAS#: 215604-75-4 (free base)
Description: Afeletecan, also known as BAY 56-3722, is a water-soluble camptothecin derivative conjugated to a carbohydrate moiety exhibiting antineoplastic activity. BAY 56-3722 stabilizes the topoisomerase I-DNA covalent complex and forms an enzyme-drug-DNA ternary complex. As a consequence of the formation of this complex, both the initial cleavage reaction and religation steps are inhibited and subsequent collision of the replication fork with the cleaved strand of DNA results in inhibition of DNA replication, double strand DNA breakage and triggering of apoptosis. The peptide carbohydrate moiety of this agent stabilizes the lactone form of camptothecin in blood.
MedKoo Cat#: 591310
Name: Afeletecan free base
CAS#: 215604-75-4 (free base)
Chemical Formula: C45H49N7O11S
Exact Mass: 895.3211
Molecular Weight: 895.985
Elemental Analysis: C, 60.32; H, 5.51; N, 10.94; O, 19.64; S, 3.58
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Synonym: Afeletecan; BAY 56-3722; BAY-563722; BAY56-3722
IUPAC/Chemical Name: (S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ((4-(((2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)carbamothioyl)-L-histidyl-L-valinate
InChi Key: SLOJCSGNHWIKIG-JNYZSSQASA-N
InChi Code: InChI=1S/C45H49N7O11S/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64)/t23-,32-,34-,36+,37-,38+,42+,45-/m0/s1
SMILES Code: O=C1C2=C([C@@](OC([C@@](C(C)C)([H])NC([C@@](CC3=CNC=N3)([H])NC(NC4=CC=C(O[C@H]5O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]5O)C=C4)=S)=O)=O)(CC)C(OC2)=O)C=C6C7=NC8=CC=CC=C8C=C7CN61
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
The following data is based on the product molecular weight 895.985 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: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2003 Jul-Aug;25(6):483-506. PubMed PMID: 12949633.
2: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. March 2003. Methods Find Exp Clin Pharmacol. 2003 Mar;25(2):145-68. PubMed PMID: 12731460.