Name: MC-Val-Cit-PAB-clindamycin
Rating: 5 (10 reviews)

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HIT ID:HIT212667993
Cas No:1639793-13-7
常用名:MC-Val-Cit-PAB-clindamycin
IUPAC:(2S,4R)-1-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-2-{[(1R,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]carbamoyl}-1-methyl-4-propylpyrrolidin-1-ium
IUPAC:(2S,4R)-1-({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl)-2-{[(1R,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]carbamoyl}-1-methyl-4-propylpyrrolidin-1-ium
InChI key:KINAEBJVJLCQDX-DCAHZPCSSA-O

分子式:C46H72ClN8O11S
分子量:980.64
氢键供体数 (HBD):9
氢键受体数 (HBA):11
LogP:-2.735213
SMILES:[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)C[N+]1(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |c:46|
SMILES:[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)C[N+]1(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |c:46|

MC-Val-Cit-PAB-clindamycin is an antibody-drug conjugate (ADC) linker that combines the potent antitumor properties of clindamycin, a protein synthesis inhibitor, with the ADC linker MC-Val-Cit-PAB, to enhance its ability to target and kill cancer cells effectively.

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