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MC-Ala-Ala-PAB

CAT: 0804-HY-148464-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148464-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC-Ala-Ala-PAB is a cleavable ADC linker. Fmoc-Ala-Ala-PAB can be used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
1949793-44-5
UNSPSC
12352203
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mc-ala-ala-pab.html
Purity
97.32
Solubility
DMSO : 20.59 mg/mL (ultrasonic)
Smiles
OCC(C=C1)=CC=C1NC([C@H](C)NC([C@H](C)NC(CCCCCN2C(C=CC2=O)=O)=O)=O)=O
Molecular Formula
C23H30N4O6
Molecular Weight
458.51
References & Citations
[1]Wayne C Widdison, et al. Development of Anilino-Maytansinoid ADCs that Efficiently Release Cytotoxic Metabolites in Cancer Cells and Induce High Levels of Bystander Killing. Bioconjug Chem. 2015 Nov 18;26 (11) :2261-78.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker

Chemical Information

MC-Ala-Ala-PAB
CAS Number1949793-44-5
PubChem CID121396875
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide
Molecular FormulaC23H30N4O6
Molecular Weight458.5
XLogP0
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C23H30N4O6/c1-15(24-19(29)6-4-3-5-13-27-20(30)11-12-21(27)31)22(32)25-16(2)23(33)26-18-9-7-17(14-28)8-10-18/h7-12,15-16,28H,3-6,13-14H2,1-2H3,(H,24,29)(H,25,32)(H,26,33)/t15-,16-/m0/s1
InChIKey
PKHVWJOCRXHNME-HOTGVXAUSA-N
Chemical Structure
2D Structure
2D structure of MC-Ala-Ala-PAB
CAS: 1949793-44-5
CID: 121396875
Formula: C23H30N4O6
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass458.21653469
Monoisotopic Mass458.21653469
Topological Polar Surface Area145 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
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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T87757-01MC-Ala-Ala-PAB
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