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Mc-MMAD

CAT: 0013-GTR19225320-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225320-01Size:1 mg
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Description
Mc-MMAD is a maleimidocaproyl-modified derivative of the potent tubulin inhibitor monomethyl auristatin D (MMAD) . This cytotoxic payload is widely utilized in antibody-drug conjugate (ADC) research for targeted cancer therapy, enabling the evaluation of drug efficacy in both in vitro and in vivo experimental models.
CAS Number
1401963-15-2
Product Name Alternative
Auristatin, DrugLinkerConjugatesforADC, DrugLinker Conjugates for ADC, Mc MMAD, McMMAD, Mc-MMAD
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
98.04% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.07 mM) ; DMSO:≥ 80 mg/mL
Smiles
[H][C@] ([C@@H] (C) CC) ([C@@H] (CC (=O) N1CCC[C@H]1[C@H] (OC) [C@@H] (C) C (=O) N[C@@H] (Cc1ccccc1) c1nccs1) OC) N (C) C (=O) [C@@H] (NC (=O) [C@H] (C (C) C) N (C) C (=O) CCCCCN1C (=O) C=CC1=O) C (C) C
Molecular Formula
C51H77N7O9S
Molecular Weight
964.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mc-MMAD
CAS Number1401963-15-2
PubChem CID78357802
IUPAC Name6-(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
Molecular FormulaC51H77N7O9S
Molecular Weight964.3
XLogP5.5
Topological Polar Surface Area216
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Heavy Atom Count68
Formal Charge0
Complexity1710
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
InChI
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
InChIKey
OZUQLKHIIRUJRZ-PGBUMTRMSA-N
Chemical Structure
2D Structure
2D structure of Mc-MMAD
CAS: 1401963-15-2
CID: 78357802
Formula: C51H77N7O9S
MW: 964.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight964.3
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Exact Mass963.55034823
Monoisotopic Mass963.55034823
Topological Polar Surface Area216 Ų
Heavy Atom Count68
Formal Charge0
Complexity1710
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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