Biotin-PEG4-Dde-TAMRA-PEG3-Azide

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Biotin-PEG4-Dde-TAMRA-PEG3-Azide

Biotin-PEG4-Dde-TAMRA-PEG3-Azide | 2353409-56-8

Catalog Number F07-0010
Category TAMRA
Molecular Formula C69H96N12O17S
Molecular Weight 1397.64
Catalog Number Size Price Quantity
F07-0010 -- $--

Product Introduction

Biotin-PEG4-Dde-TAMRA-PEG3-Azide is a cleavable 7 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms Dde TAMRA Biotin Azide
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name 5-[[3-[[3-[3-[[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propylidene]amino]propylamino]-3-oxopropyl]-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropyl]carbamoyl]-2-[3-(dimethylamino)-6-iminoxanthen-9-yl]benzoic acid
Canonical SMILES CC1(CC(=C(C(=O)C1)C(=NCCCNC(=O)CCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)CCNC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=N)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)O)CCOCCOCCOCCOCCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)O)C
InChI InChI=1S/C69H96N12O17S/c1-69(2)43-55(82)64(56(83)44-69)53(18-26-91-30-34-95-38-39-97-35-31-92-27-22-74-60(84)9-6-5-8-59-65-54(45-99-59)77-68(90)78-65)72-19-7-20-73-61(85)17-24-81(25-29-94-33-37-96-36-32-93-28-23-76-79-71)62(86)16-21-75-66(87)46-10-13-49(52(40-46)67(88)89)63-50-14-11-47(70)41-57(50)98-58-42-48(80(3)4)12-15-51(58)63/h10-15,40-42,54,59,65,70,82H,5-9,16-39,43-45H2,1-4H3,(H,73,85)(H,74,84)(H,75,87)(H,88,89)(H2,77,78,90)/t54-,59-,65-/m0/s1
InChI Key BZMNWSIWUFJKEL-RKILTYLGSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 23
Rotatable Bond Count 47
Exact Mass 1396.67371081 g/mol
Monoisotopic Mass 1396.67371081 g/mol
Topological Polar Surface Area 376Ų
Heavy Atom Count 99
Formal Charge 0
Complexity 2920
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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