Mc-MMAD - ≥96% , CAS No.1401963-15-2

CAS: 1401963-15-2 Cat. No.: M125686 Formula: C₅₁H₇₇N₇O₉S Molecular Weight: 964.26 PubChem CID: 78357802

GRADE & PURITY ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mc-MMAD is a protective group (maleimidocaproyl)-conjugated MMAD. MMAD is a potent tubulin inhibitor. Mc-MMAD is a agent-linker conjugate for ADC。

Specifications

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Description:
  Monomethyl auristatin D (MMAD), a potent tubulin inhibitor, is a toxin payload and antibody drug conjugate.
For comparison purposes, the ADC A1 -mc-MMAD and/or A1 -vc-MMAD were used. The linker payload, mc-MM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥96%

Names and Identifiers

Pubchem Sid

528765602

Canonical Smiles

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O

IUPAC Name

6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide

InChIKey

OZUQLKHIIRUJRZ-PGBUMTRMSA-N

INCHI

1S/C51H77N7O9S/c1-12-34(6)46(56(9)51(65)44(32(2)3)54-49(64)45(33(4)5)55(8)40(59)23-17-14-18-27-58-41(60)24-25-42(58)61)39(66-10)31-43(62)57-28-19-22-38(57)47(67-11)35(7)48(63)53-37(50-52-26-29-68-50)30-36-20-15-13-16-21-36/h13,15-16,20-21,24-26,29,32-35,37-39,44-47H,12,14,17-19,22-23,27-28,30-31H2,1-11H3,(H,53,63)(H,54,64)/t34-,35+,37-,38-,39+,44-,45-,46-,47+/m0/s1

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O

PubChem CID

78357802

Molecular Weight

964.26

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 964.300 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 27
• Exact Mass: 963.55 Da
• Monoisotopic Mass: 963.55 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 68
• Formal Charge: 0
• Complexity: 1710.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1