VA-PAB-PBD - CAS 1595275-60-7
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VA-PAB-PBD - CAS 1595275-60-7 Catalog number: BADC-01669

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A payload-linker used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Cytotoxin with Linkers
Product Name
VA-PAB-PBD
CAS
1595275-60-7
Catalog Number
BADC-01669
Molecular Formula
C57H69N7O16
Molecular Weight
1108.21
VA-PAB-PBD

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Description
A payload-linker used in the synthesis of antibody-drug conjugates (ADCs).
Synonyms
L-Alaninamide, N-[(2-propen-1-yloxy)carbonyl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11S,11aS)-5,10,11,11a-tetrahydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-10-[(2-propen-1-yloxy)carbonyl]-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-; N-[(2-Propen-1-yloxy)carbonyl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11S,11aS)-5,10,11,11a-tetrahydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-10-[(2-propen-1-yloxy)carbonyl]-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-L-alaninamide
IUPAC Name
allyl (11S,11aS)-8-((5-(((11S,11aS)-10-(((4-((S)-2-((S)-2-(((allyloxy)carbonyl)amino)-3-methylbutanamido)propanamido)benzyl)oxy)carbonyl)-11-hydroxy-7-methoxy-2-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-11-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
Canonical SMILES
O=C(OCC=C)NC(C(=O)NC(C(=O)NC1=CC=C(C=C1)COC(=O)N2C3=CC(OCCCCCOC=4C=C5C(=CC4OC)C(=O)N6C=C(C)CC6C(O)N5C(=O)OCC=C)=C(OC)C=C3C(=O)N7C=C(C)CC7C2O)C)C(C)C
InChI
InChI=1S/C57H69N7O16/c1-10-19-78-55(71)60-48(32(3)4)50(66)58-35(7)49(65)59-37-17-15-36(16-18-37)31-80-57(73)64-41-28-47(45(75-9)26-39(41)52(68)62-30-34(6)24-43(62)54(64)70)77-22-14-12-13-21-76-46-27-40-38(25-44(46)74-8)51(67)61-29-33(5)23-42(61)53(69)63(40)56(72)79-20-11-2/h10-11,15-18,25-30,32,35,42-43,48,53-54,69-70H,1-2,12-14,19-24,31H2,3-9H3,(H,58,66)(H,59,65)(H,60,71)/t35-,42-,43-,48-,53-,54-/m0/s1
InChIKey
CUIZJAKXCMXFRH-JEFJBVEBSA-N
Density
1.38±0.1 g/cm3
Boiling Point
1216.8±65.0 °C at 760 mmHg
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Calculate
The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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Historical Records: VA-PAB-PBD
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