Cys-MC-MMAF - CAS 1160590-05-5 Catalog number: BADC-01432

Description

Cys-MC-MMAF is the released payload of AlMcMMAF, an anti-5T4 humanized A1 antibody that is conjugated to microtubule MMAF destruction via a maleimidocaproyl linker. It has antitumor effects on two tumor mouse models (H1975 and MDA-MB-361-DYT2).

Synonyms

L-Phenylalanine, N-[6-[3-[[(2R)-2-amino-2-carboxyethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-1-oxohexyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-; N-[6-[3-[[(2R)-2-Amino-2-carboxyethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-1-oxohexyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine; S-(1-(6-(((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((S)-1-carboxy-2-phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)amino)-6-oxohexyl)-2,5-dioxopyrrolidin-3-yl)-L-cysteine; Denintuzumab mafodotin; Vorsetzumab Mafodotin; Vorsetuzumab mafodotin; Cys-McMMAF

IUPAC Name

(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCC(C(=O)O)N

InChI

InChI=1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1

InChIKey

BXTJCSYMGFJEID-XMTADJHZSA-N

Density

1.25±0.1 g/cm3

Solubility

Soluble in DMSO, Water

Appearance

Solid

Purity

≥95%

Storage

Store at -20°C, protect from light

Boiling Point

1172.4±65.0°C at 760 mmHg