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Alloc-Val-Ala-pAB

CAT: 0804-HY-W071967-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W071967-05Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alloc-Val-Ala-PAB is a peptide cleavable linker used in the synthesis of antibody-drug conjugates (ADCs) . 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
1343407-91-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.61
Smiles
OCC1=CC=C(NC([C@@H](NC([C@@H](NC(OCC=C)=O)C(C)C)=O)C)=O)C=C1
Molecular Formula
C19H27N3O5
Molecular Weight
377.43
Precautions
H302, H315, H319, H335
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

Allyl ((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
CAS Number1343407-91-9
PubChem CID68223390
IUPAC Nameprop-2-enyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC19H27N3O5
Molecular Weight377.4
XLogP1.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity515
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)OCC=C
InChI
InChI=1S/C19H27N3O5/c1-5-10-27-19(26)22-16(12(2)3)18(25)20-13(4)17(24)21-15-8-6-14(11-23)7-9-15/h5-9,12-13,16,23H,1,10-11H2,2-4H3,(H,20,25)(H,21,24)(H,22,26)/t13-,16-/m0/s1
InChIKey
LVLAVLCLIPDFJK-BBRMVZONSA-N
Chemical Structure
2D Structure
2D structure of Allyl ((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
CAS: 1343407-91-9
CID: 68223390
Formula: C19H27N3O5
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass377.19507097
Monoisotopic Mass377.19507097
Topological Polar Surface Area117 Ų
Heavy Atom Count27
Formal Charge0
Complexity515
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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GTR19253441-01Alloc-Val-Ala-pAB
BIPG2103-01Alloc-Val-Ala-PAB-PNP
TYD-01870-01Alloc-Val-Ala-OH
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BA2365-5000Val-Ala-PAB
BA2488-5000Boc-Val-Ala-PAB
T77813-01SG3199-Val-Ala-PAB
BUP20196-01Val-Ala-PAB-MMAE
GTR19159947-01Mc-Val-Ala-PAB

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