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Ala-Ala-Asn-PAB

CAT: 0013-GTR19226050-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226050-01Size:1 mg
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Description
Ala-Ala-Asn-PAB is a protease-cleavable linker used in ADC development to enhance drug stability and reduce off-target toxicity. It enables controlled payload release in tumor cells and is widely applied in both in vitro cytotoxicity assays and in vivo xenograft studies for targeted cancer therapy research.
CAS Number
2149584-00-7
Product Name Alternative
Ala-Ala-Asn-PAB
Field of Research
Pharmacology & Drug Discovery
Purity
97.31% (May vary between batches)
Smiles
[C@H] (C (NC1=CC=C (CO) C=C1) =O) (NC ([C@@H] (NC ([C@H] (C) N) =O) C) =O) CC (N) =O
Molecular Formula
C17H25N5O5
Molecular Weight
379.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ala-Ala-Asn-PAB
CAS Number2149584-00-7
PubChem CID118966102
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[4-(hydroxymethyl)phenyl]butanediamide
Molecular FormulaC17H25N5O5
Molecular Weight379.4
XLogP-2.3
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity548
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)NC1=CC=C(C=C1)CO)N
InChI
InChI=1S/C17H25N5O5/c1-9(18)15(25)20-10(2)16(26)22-13(7-14(19)24)17(27)21-12-5-3-11(8-23)4-6-12/h3-6,9-10,13,23H,7-8,18H2,1-2H3,(H2,19,24)(H,20,25)(H,21,27)(H,22,26)/t9-,10-,13-/m0/s1
InChIKey
VPXFRPRRAXTBSH-KWBADKCTSA-N
Chemical Structure
2D Structure
2D structure of Ala-Ala-Asn-PAB
CAS: 2149584-00-7
CID: 118966102
Formula: C17H25N5O5
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP3-2.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass379.18556891
Monoisotopic Mass379.18556891
Topological Polar Surface Area177 Ų
Heavy Atom Count27
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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