DBCO-PEG4-VC-PAB-DMEA-PNU-159682

DBCO-PEG4-VC-PAB-DMEA-PNU-159682, a drug-linker conjugate for ADC, consists the ADC linker DBCO-PEG4-VC-PAB and a potent ADC cytotoxin DMEA-PNU-159682. DMEA-PNU-159682 includes metabolites of nemorubicin (MMDX) from liver microsomes and ADC cytotoxin PNU-159682.

Product information

CAS Number: 2259318-56-2

Molecular Weight: 1695.81

Formula: C86H106N10O26

Chemical Name: {4-[(2S)-2-[(2S)-2-{1-[(3-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl N-methyl-N-{2-[methyl({2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0²,⁷]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethoxy}carbonyl)amino]ethyl}carbamate

Smiles: CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC2=CC=CC=C12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)N(C)CCN(C)C(=O)OCC(=O)[C@@]2(O)C[C@H](O[C@H]3C[C@H]4[C@H](O[C@@H]5[C@H](OCCN45)OC)[C@H](C)O3)C3=C(O)C4C(=O)C5=C(C=CC=C5C(=O)C=4C(O)=C3C2)OC)C=C1

InChiKey: MCDUSHLYGKRCLV-LSKFORQBSA-N

InChi: InChI=1S/C86H106N10O26/c1-50(2)73(92-66(99)29-36-114-39-41-116-43-42-115-40-38-113-35-28-65(98)88-31-27-67(100)96-47-55-16-9-8-14-53(55)23-24-54-15-10-11-19-60(54)96)80(106)91-59(18-13-30-89-83(87)107)79(105)90-56-25-21-52(22-26-56)48-118-84(108)93(4)32-33-94(5)85(109)119-49-64(97)86(110)45-58-70(77(104)72-71(75(58)102)74(101)57-17-12-20-62(111-6)69(57)76(72)103)63(46-86)121-68-44-61-78(51(3)120-68)122-81-82(112-7)117-37-34-95(61)81/h8-12,14-17,19-22,25-26,50-51,59,61,63,68,73,78,81-82,102,104,110H,13,18,27-49H2,1-7H3,(H,88,98)(H,90,105)(H,91,106)(H,92,99)(H3,87,89,107)/t51-,59-,61-,63-,68-,73-,78+,81+,82-,86-/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

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