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AcLys-PABC-VC-Aur0101 intermediate-1

CAT: 0013-GTR19234452-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234452-01Size:25 mg
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Description
AcLys-PABC-VC-Aur0101 intermediate-1 is a cleavable linker designed for constructing antibody-drug conjugates (ADCs), specifically activated by cathepsin enzymes. This functionality enables targeted drug release, supporting the development of ADCs for oncology research in both cellular and animal models.
CAS Number
1609108-48-6
Smiles
C (OC (NCCCC[C@@H] (C (N[C@H] (C (N[C@H] (C (NC1=CC=C (CO) C=C1) =O) CCCNC (N) =O) =O) C (C) C) =O) NC (C) =O) =O) C2C=3C (C=4C2=CC=CC4) =CC=CC3
Molecular Formula
C41H53N7O8
Molecular Weight
771.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AcLys-PABC-VC-Aur0101 intermediate-1
CAS Number1609108-48-6
PubChem CID90118471
IUPAC Name9H-fluoren-9-ylmethyl N-[(5S)-5-acetamido-6-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]carbamate
Molecular FormulaC41H53N7O8
Molecular Weight771.9
XLogP3
Topological Polar Surface Area230
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Heavy Atom Count56
Formal Charge0
Complexity1290
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)C
InChI
InChI=1S/C41H53N7O8/c1-25(2)36(39(53)47-35(16-10-22-43-40(42)54)37(51)46-28-19-17-27(23-49)18-20-28)48-38(52)34(45-26(3)50)15-8-9-21-44-41(55)56-24-33-31-13-6-4-11-29(31)30-12-5-7-14-32(30)33/h4-7,11-14,17-20,25,33-36,49H,8-10,15-16,21-24H2,1-3H3,(H,44,55)(H,45,50)(H,46,51)(H,47,53)(H,48,52)(H3,42,43,54)/t34-,35-,36-/m0/s1
InChIKey
FUKMTJHGXXYHHK-KVBYWJEESA-N
Chemical Structure
2D Structure
2D structure of AcLys-PABC-VC-Aur0101 intermediate-1
CAS: 1609108-48-6
CID: 90118471
Formula: C41H53N7O8
MW: 771.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.9
XLogP33
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Exact Mass771.39556167
Monoisotopic Mass771.39556167
Topological Polar Surface Area230 Ų
Heavy Atom Count56
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T87774-01AcLys-PABC-VC-Aur0101 intermediate-1
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431144FLASK,ERLEN,250ML,31MM,VC,PC,S,IND,1/50
431143FLASK,ERLEN,125ML,26MM,VC,PC,S,IND,1/50
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T17357-01AcLys-PABC-VC-Aur0101
A19371-25AcLys-PABC-VC-Aur0101 25mg
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A19371-50AcLys-PABC-VC-Aur0101 50mg
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