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

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HIT ID:HIT212667601
Cas No:
常用名:DBCO-PEG4-Ahx-DM1
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-{6-[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)-3,6,9,12-tetraoxapentadecan-15-amido]-N-methylhexanamido}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-{6-[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)-3,6,9,12-tetraoxapentadecan-15-amido]-N-methylhexanamido}propanoate
InChI key:HAGWYLKCEZXKPL-IOPZTLFESA-N

分子式:C68H89ClN6O17
分子量:1297.94
氢键供体数 (HBD):4
氢键受体数 (HBA):15
LogP:5.275149
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)CCCCCNC(=O)CCOCCOCCOCCOCCNC(=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)CCCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C#Cc3ccccc23)[C@]2(C)OC2[C@H](C)C2C[C@@]1(O)NC(=O)O2

DBCO-PEG4-Ahx-DM1 is a drug-linker conjugate that combines the microtubulin inhibitor DM1 (mertansine), which is an antibody-conjugatable maytansinoid designed to reduce systemic toxicity and improve tumor-specific delivery, with the linker DBCO-PEG4-Ahx, for the development of antibody drug conjugates (ADCs).

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