NH2-VC-PAB-DMEA-PNU159682 - CAS 2227350-96-9
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NH2-VC-PAB-DMEA-PNU159682 - CAS 2227350-96-9 Catalog number: BADC-01424

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NH2-VC-PAB-DMEA-PNU159682 is a sortase-reactive drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Cytotoxin with Linkers
Product Name
NH2-VC-PAB-DMEA-PNU159682
CAS
2227350-96-9
Catalog Number
BADC-01424
Molecular Formula
C56H72N8O19
Molecular Weight
1161.22
Purity
≥95%
NH2-VC-PAB-DMEA-PNU159682

Ordering Information

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BADC-01424 -- $-- Inquiry

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Description
NH2-VC-PAB-DMEA-PNU159682 is a sortase-reactive drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs).
Synonyms
VC-PAB-DMEA-PNU159682; L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-[11-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-4-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-6,11-dioxo-2-naphthacenyl]-4,7-dimethyl-3,8,11-trioxo-2,9-dioxa-4,7-diazaundec-1-yl]phenyl]-; L-Valyl-N5-carbamoyl-N-(4-{4,7-dimethyl-3,8,11-trioxo-11-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl]-2,9-dioxa-4,7-diazaundec-1-yl}phenyl)-L-ornithinamide
IUPAC Name
[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-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-[2-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
Canonical SMILES
CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)COC(=O)N(C)CCN(C)C(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)N)O)N8CCOC(C8O2)OC
InChI
InChI=1S/C56H72N8O19/c1-27(2)43(57)50(71)61-33(11-9-17-59-53(58)72)49(70)60-30-15-13-29(14-16-30)25-79-54(73)62(4)18-19-63(5)55(74)80-26-37(65)56(75)23-32-40(47(69)42-41(45(32)67)44(66)31-10-8-12-35(76-6)39(31)46(42)68)36(24-56)82-38-22-34-48(28(3)81-38)83-51-52(77-7)78-21-20-64(34)51/h8,10,12-16,27-28,33-34,36,38,43,48,51-52,67,69,75H,9,11,17-26,57H2,1-7H3,(H,60,70)(H,61,71)(H3,58,59,72)/t28-,33-,34-,36-,38-,43-,48+,51+,52-,56-/m0/s1
InChIKey
BNWLMZKSKUNVSP-OLBIOUOSSA-N
Density
1.47±0.1 g/cm3
Boiling Point
1232.3±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: NH2-VC-PAB-DMEA-PNU159682
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