Name: NMS-P945
Rating: 5 (10 reviews)

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HIT ID:HIT218849268
Cas No:1466546-35-9
常用名:NMS-P945
IUPAC:(8S)-8-(chloromethyl)-1-methyl-6-{5-[2-(pyrrolidin-1-yl)ethoxy]-1H-indole-2-carbonyl}-6H,7H,8H-thieno[3,2-e]indol-4-yl N-(2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}ethyl)-N-methylcarbamate
IUPAC:(8S)-8-(chloromethyl)-1-methyl-6-{5-[2-(pyrrolidin-1-yl)ethoxy]-1H-indole-2-carbonyl}-6H,7H,8H-thieno[3,2-e]indol-4-yl N-(2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}ethyl)-N-methylcarbamate
InChI key:DZTOGFTUODCETI-VFSHFYSOSA-N

分子式:C61H76ClN11O12S
分子量:1222.85
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)Oc2cc3N(C[C@@H](CCl)c3c3c(C)csc23)C(=O)c2cc3cc(OCCN4CCCC4)ccc3[nH]2)cc1
SMILES:CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)Oc2cc3N(C[C@@H](CCl)c3c3c(C)csc23)C(=O)c2cc3cc(OCCN4CCCC4)ccc3[nH]2)cc1

NMS-P945 serves as an ADC linker suitable for the synthesis of antibody-drug conjugates (ADCs). It is adept at coupling to monoclonal antibodies (mAbs), consistently achieving a Drug Antibody Ratio (DAR) greater than 3.5 [1].

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