Py-MAA-Val-Cit-PAB-MMAE - CAS 2247398-68-9
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Py-MAA-Val-Cit-PAB-MMAE - CAS 2247398-68-9 Catalog number: BADC-01639

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Py-MAA-Val-Cit-PAB-MMAE is an ADC linker of Zapadcine-3a which is an anti-TRAILR2 ADC with broad spectrum, and antineoplastic effect.

Category
ADCs Linker
Product Name
Py-MAA-Val-Cit-PAB-MMAE
CAS
2247398-68-9
Catalog Number
BADC-01639
Molecular Formula
C72H111N13O16S
Molecular Weight
1446.79

Ordering Information

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Description
Py-MAA-Val-Cit-PAB-MMAE is an ADC linker of Zapadcine-3a which is an anti-TRAILR2 ADC with broad spectrum, and antineoplastic effect.
Synonyms
AAJ8D6-PY-Val-Cit-MMAE
IUPAC Name
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CSCCC(=O)N4CN(CN(C4)C(=O)C=C)C(=O)C=C
InChI
InChI=1S/C72H111N13O16S/c1-17-46(10)63(54(99-15)37-59(90)85-35-24-28-53(85)65(100-16)47(11)66(92)75-48(12)64(91)50-25-21-20-22-26-50)80(13)70(96)61(44(6)7)79-69(95)62(45(8)9)81(14)72(98)101-38-49-29-31-51(32-30-49)76-67(93)52(27-23-34-74-71(73)97)77-68(94)60(43(4)5)78-55(86)39-102-36-33-58(89)84-41-82(56(87)18-2)40-83(42-84)57(88)19-3/h18-22,25-26,29-32,43-48,52-54,60-65,91H,2-3,17,23-24,27-28,33-42H2,1,4-16H3,(H,75,92)(H,76,93)(H,77,94)(H,78,86)(H,79,95)(H3,73,74,97)/t46-,47+,48+,52-,53-,54+,60-,61-,62-,63-,64+,65+/m0/s1
InChIKey
ASDXMJBJAKMFHO-NGASZDMPSA-N
Appearance
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