Name: DM1-PEG4-DBCO
Rating: 5 (10 reviews)

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HIT ID:HIT212667637
Cas No:
常用名:DM1-PEG4-DBCO
IUPAC:(2R,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4,6,8,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-N-methyl-3,6,9,12-tetraoxahexadecan-16-amido]propanoate
IUPAC:(2R,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2S)-2-[1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4,6,8,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)-N-methyl-3,6,9,12-tetraoxahexadecan-16-amido]propanoate
InChI key:KNGFBSMTZQRQKS-KSJOAOATSA-N

分子式:C63H80ClN5O16
分子量:1198.8
氢键供体数 (HBD):3
氢键受体数 (HBA):14
LogP:5.254282
SMILES:CO[C@@H]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)[C@]2(C)OC2[C@H](C)C2C[C@@]1(O)NC(=O)O2
SMILES:CO[C@@H]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)[C@]2(C)OC2[C@H](C)C2C[C@@]1(O)NC(=O)O2

DM1-(PEG)4-DBCO is a drug-linker conjugate that combines the potent microtubulin inhibitor mertansine (DM1) with the DBCO-PEG4-Ahx linker for the development of antibody-drug conjugates (ADCs). This conjugation aims to mitigate the systemic toxicity associated with maytansine while improving tumor-specific delivery, leveraging DM1’s capabilities as an antibody-conjugatable maytansinoid.

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