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Mc-MMAE

CAT: 0013-GTR19178008-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178008-01Size:1 mg
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Description
Mc-MMAE is a maleimidocaproyl-linked derivative of the potent antimitotic agent monomethyl auristatin E, designed for constructing antibody-drug conjugates (ADCs) . It is widely used in oncology research for evaluating ADC efficacy in both in vitro cytotoxicity assays and in vivo xenograft models.
CAS Number
863971-24-8
Product Name Alternative
Auristatin, DrugLinkerConjugatesforADC, DrugLinker Conjugates for ADC, Drug-Linker Conjugates for ADC, Mc MMAE, Maleimidocaproyl-monomethylauristatin E, McMMAE, Mc-MMAE, Microtubule Associated, MicrotubuleAssociated, Microtubule/Tubulin, Inhibitor, inhibit
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
≥98% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:4 mg/mL (4.39 mM) ; DMSO:51 mg/mL (55.97 mM) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
CC[C@H] (C) [C@@H] ([C@@H] (CC (=O) N1CCC[C@H]1[C@H] (OC) [C@@H] (C) C (=O) N[C@H] (C) [C@@H] (O) c1ccccc1) 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
C49H78N6O10
Molecular Weight
911.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mc-MMAE
CAS Number863971-24-8
PubChem CID59168780
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide
Molecular FormulaC49H78N6O10
Molecular Weight911.2
XLogP4.3
Topological Polar Surface Area195
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count26
Heavy Atom Count65
Formal Charge0
Complexity1620
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](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O
InChI
InChI=1S/C49H78N6O10/c1-13-32(6)44(37(64-11)29-41(59)54-28-20-23-36(54)46(65-12)33(7)47(61)50-34(8)45(60)35-21-16-14-17-22-35)53(10)49(63)42(30(2)3)51-48(62)43(31(4)5)52(9)38(56)24-18-15-19-27-55-39(57)25-26-40(55)58/h14,16-17,21-22,25-26,30-34,36-37,42-46,60H,13,15,18-20,23-24,27-29H2,1-12H3,(H,50,61)(H,51,62)/t32-,33+,34+,36-,37+,42-,43-,44-,45+,46+/m0/s1
InChIKey
UGJOTJHSQWBROP-AXJCKIDNSA-N
Chemical Structure
2D Structure
2D structure of Mc-MMAE
CAS: 863971-24-8
CID: 59168780
Formula: C49H78N6O10
MW: 911.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight911.2
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count26
Exact Mass910.57794271
Monoisotopic Mass910.57794271
Topological Polar Surface Area195 Ų
Heavy Atom Count65
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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