CAS 745017-94-1 | MonoMethylauristatin F | CAS Number 745017-94-1

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745017-94-1 | MonoMethylauristatin F

CAS No: 745017-94-1 Catalog No: AG00359W MDL No:

Product Description

Catalog Number:

AG00359W

Chemical Name:

MonoMethylauristatin F

CAS Number:

745017-94-1

Molecular Formula:

C39H65N5O8

Molecular Weight:

731.9621

IUPAC Name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid

InChI:

InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1

InChI Key:

MFRNYXJJRJQHNW-DEMKXPNLSA-N

SMILES:

CN[C@H](C(=O)N[C@H](C(=O)N(C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C

Properties

Complexity:

1160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

731.483g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

731.976g/mol

Monoisotopic Mass:

731.483g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

167A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Native intact mass determination of antibodies conjugated with monomethyl Auristatin E and F at interchain cysteine residues.	Analytical chemistry 20120320
Impact of drug conjugation on pharmacokinetics and tissue distribution of anti-STEAP1 antibody-drug conjugates in rats.	Bioconjugate chemistry 20111019
Antibody-drug conjugates for the treatment of non-Hodgkin's lymphoma: target and linker-drug selection.	Cancer research 20090315
A human antibody-drug conjugate targeting EphA2 inhibits tumor growth in vivo.	Cancer research 20081115
Anti-CD22-MCC-DM1 and MC-MMAF conjugates: impact of assay format on pharmacokinetic parameters determination.	Bioconjugate chemistry 20080801