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Monomethyl auristatin E intermediate-11

CAT: 0804-HY-78908-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-78908-01Size:50 mg
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Description
Monomethyl auristatin E intermediate-11 is an intermediate reactant in the synthesis of Monomethyl auristatin E. Monomethyl auristatin E (MMAE) is a microtubule/tubulin inhibitor with anticancer activity. MMAE is widely used as the cytotoxic component (ADC Cytotoxin) of antibody-drug conjugates (ADCs).
CAS Number
870640-62-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Microtubule/Tubulin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/monomethyl-auristatin-e-intermediate-11.html
Purity
98.80
Solubility
10 mM in DMSO
Smiles
CC[C@H](C)[C@@H](CO)N(CC1=CC=CC=C1)C
Molecular Formula
C14H23NO
Molecular Weight
221.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Lisa Buckel, et al. Tumor radiosensitization by monomethyl auristatin E: mechanism of action and targeted delivery. Cancer Res. 2015 Apr 1;75 (7) :1376-87.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2S,3S)-2-(benzyl(methyl)amino)-3-methylpentan-1-ol
CAS Number870640-62-3
PubChem CID59021630
IUPAC Name(2S,3S)-2-[benzyl(methyl)amino]-3-methylpentan-1-ol
Molecular FormulaC14H23NO
Molecular Weight221.34
XLogP2.8
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity178
SMILES
CC[C@H](C)[C@@H](CO)N(C)CC1=CC=CC=C1
InChI
InChI=1S/C14H23NO/c1-4-12(2)14(11-16)15(3)10-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3/t12-,14+/m0/s1
InChIKey
JPXSDNBZAYWWCL-GXTWGEPZSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-2-(benzyl(methyl)amino)-3-methylpentan-1-ol
CAS: 870640-62-3
CID: 59021630
Formula: C14H23NO
MW: 221.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.34
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass221.177964357
Monoisotopic Mass221.177964357
Topological Polar Surface Area23.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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