Name: β-Estradiol-6-CMO-PEG3-biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212668481
Cas No:
常用名:β-Estradiol-6-CMO-PEG3-biotin
IUPAC:N-{2-[2-(2-{2-[2-({[(1R,3aS,3bR,5Z,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)acetamido]ethoxy}ethoxy)ethoxy]ethyl}-5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
IUPAC:N-{2-[2-(2-{2-[2-({[(1R,3aS,3bR,5Z,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)acetamido]ethoxy}ethoxy)ethoxy]ethyl}-5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
InChI key:TVIJHIVETWGOLR-XZOPDTKNSA-N

分子式:C38H57N5O9S
分子量:759.96
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:1.3069888
SMILES:[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3\C(C[C@@]21[H])=N/OCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
SMILES:[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3\C(C[C@@]21[H])=N/OCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

β-Estradiol-6-CMO-PEG3-biotin serves as a cleavable 3-unit PEG ADC linker for the synthesis of antibody-drug conjugates (ADCs)[1].

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