Name: SC-VC-PAB-DM1
Rating: 5 (10 reviews)

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HIT ID:HIT214314837
Cas No:2259318-47-1
常用名:SC-VC-PAB-DM1
IUPAC:2,5-dioxopyrrolidin-1-yl 5-{[(1S)-1-{[(1S)-4-(carbamoylamino)-1-({4-[({[(2S)-1-{[(1S,2R,3S,5S,6S,16Z,18E,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]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}oxy)methyl]phenyl}carbamoyl)butyl]carbamoyl}-2-methylpropyl]carbamoyl}pentanoate
IUPAC:2,5-dioxopyrrolidin-1-yl 5-{[(1S)-1-{[(1S)-4-(carbamoylamino)-1-({4-[({[(2S)-1-{[(1S,2R,3S,5S,6S,16Z,18E,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]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}oxy)methyl]phenyl}carbamoyl)butyl]carbamoyl}-2-methylpropyl]carbamoyl}pentanoate
InChI key:LXJMPVKQZDSAAC-FQVSQHTLSA-N

分子式:C61H82ClN9O19
分子量:1280.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCC(=O)ON2C(=O)CCC2=O)C(C)C)cc1 |c:17,t:19|
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCC(=O)ON2C(=O)CCC2=O)C(C)C)cc1 |c:17,t:19|

SC-VC-PAB-DM1 is a drug-linker conjugate utilized in Antibody-Drug Conjugates (ADC), featuring DM1 (Mertansine, a tubulin inhibitor) linked through the SC-VC-PAB[1] ADC linker to deliver potent antitumor activity.

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