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Alloc-Val-Ala-OH

CAT: 0804-HY-W076556-05Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W076556-05Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alloc-Val-Ala-OH (((Allyloxy) carbonyl) -L-valyl-L-alanine) is a building block in the synthesis of Tesirine, a clinical antibody-drug conjugate (ADC) pyrrolobenzodiazepine (PBD) dimer payload. The Val-Ala will specifically be cleaved by Cathepsin B. The Alloc group is stable to treatment with piperidine and TFA, but can be easily removed under mild conditions by palladium catalyzed allyl transfer.
CAS Number
330970-70-2
Product Name Alternative
((Allyloxy) carbonyl) -L-valyl-L-alanine
UNSPSC
12352211
Hazard Statement
H315, H319
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.75
Smiles
OC([C@H](C)NC([C@H](C(C)C)NC(OCC=C)=O)=O)=O
Molecular Formula
C12H20N2O5
Molecular Weight
272.30
Precautions
H315, H319
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

N-Alloc-L-valyl-L-alanine
CAS Number330970-70-2
PubChem CID88895929
IUPAC Name(2S)-2-[[(2S)-3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoic acid
Molecular FormulaC12H20N2O5
Molecular Weight272.30
XLogP0.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity354
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC=C
InChI
InChI=1S/C12H20N2O5/c1-5-6-19-12(18)14-9(7(2)3)10(15)13-8(4)11(16)17/h5,7-9H,1,6H2,2-4H3,(H,13,15)(H,14,18)(H,16,17)/t8-,9-/m0/s1
InChIKey
LOIWGNGKOQWZSA-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of N-Alloc-L-valyl-L-alanine
CAS: 330970-70-2
CID: 88895929
Formula: C12H20N2O5
MW: 272.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.30
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass272.13722174
Monoisotopic Mass272.13722174
Topological Polar Surface Area105 Ų
Heavy Atom Count19
Formal Charge0
Complexity354
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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