EC0489 - CAS# 1096702-14-5

EC0489, a conjugate of folic acid and desacetyl vinblastine hydrazide, is a high-affinity ligand for the folate receptor (FR). Refractory or metastatic Tumor. Small molecule-drug conjugate (SMDC).

Product information

CAS Number: 1096702-14-5

Molecular Weight: 2550.68

Formula: C111H156N22O43S2

Chemical Name: N2-(4-(((2-amino-4-oxo-3, 4-dihydropteridin-6-yl)methyl)amino)benzoyl)-N5-((2S)-1-(((2S)-4-carboxy-1-(((2S)-1-(((2S)-4-carboxy-1-(((11R, 14S, 20S, 21R, 22R, 23R)-11-carboxy-1-((3aR, 3a1R, 4R, 5S, 5aR, 10bR)-3a-ethyl-9-((5S, 7R, 9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1, 4, 5, 6, 7, 8, 9, 10-octahydro-2H-3, 7-methano[1]azacycloundecino[5, 4-b]indol-9-yl)-4, 5-dihydroxy-8-methoxy-6-methyl-3a, 3a1, 4, 5, 5a, 6, 11, 12-octahydro-1H-indolizino[8, 1-cd]carbazol-5-yl)-20, 21, 22, 23, 24-pentahydroxy-1, 4, 13, 17-tetraoxo-5-oxa-8, 9-dithia-2, 3, 12, 18-tetraazatetracosan-14-yl)amino)-1-oxobutan-2-yl)amino)-1, 5-dioxo-5-(((2S, 3R, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexyl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)amino)-1, 5-dioxo-5-(((2S, 3R, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexyl)amino)pentan-2-yl)-L-glutamine

Smiles: CN1[C@@H]2[C@]3(CCN4CC=C[C@](CC)([C@@H]34)[C@@H](O)[C@]2(O)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CC[C@H](NC(=O)C2C=CC(=CC=2)NCC2=CN=C3N=C(N)NC(=O)C3=N2)C(O)=O)C(O)=O)C2=CC(=C(C=C12)OC)[C@]1(C[C@@H]2C[C@](O)(CN(C2)CCC2=C1NC1=CC=CC=C21)CC)C(=O)OC

InChiKey: PHCAWPRQWLBYTH-HCDHKMFTSA-N

InChi: InChI=1S/C111H156N22O43S2/c1-6-107(172)39-52-40-110(104(170)175-5,89-57(29-33-132(46-52)51-107)56-11-8-9-12-60(56)120-89)59-37-58-68(38-75(59)174-4)131(3)101-109(58)31-34-133-32-10-30-108(7-2,100(109)133)102(168)111(101,173)103(169)129-130-106(171)176-35-36-177-178-50-67(99(166)167)126-96(162)63(19-25-78(145)116-45-71(139)85(153)88(156)74(142)49-136)122-95(161)65(22-28-81(149)150)124-93(159)62(18-24-77(144)115-44-70(138)84(152)87(155)73(141)48-135)121-94(160)64(21-27-80(147)148)123-92(158)61(17-23-76(143)114-43-69(137)83(151)86(154)72(140)47-134)119-79(146)26-20-66(98(164)165)125-91(157)53-13-15-54(16-14-53)113-41-55-42-117-90-82(118-55)97(163)128-105(112)127-90/h8-16,30,37-38,42,52,61-67,69-74,83-88,100-102,113,120,134-142,151-156,168,172-173H,6-7,17-29,31-36,39-41,43-51H2,1-5H3,(H,114,143)(H,115,144)(H,116,145)(H,119,146)(H,121,160)(H,122,161)(H,123,158)(H,124,159)(H,125,157)(H,126,162)(H,129,169)(H,130,171)(H,147,148)(H,149,150)(H,164,165)(H,166,167)(H3,112,117,127,128,163)/t52-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74+,83+,84+,85+,86+,87+,88+,100-,101+,102+,107-,108+,109+,110-,111-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

The affinity of EC0489 toward the folate receptor (FR) is approximately half of that of folic acid (relative affinity 0.50).

In Vivo:

EC0489 has a favorable toxicology profile in Rats. EC0489 (2, 3, and 4 μmol/kg) has antitumor activity against mice KB tumor models in a dose-dependent manner.

Products are for research use only. Not for human use.