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Boc-Val-Cit-PAB

CAT: 0804-HY-141141-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141141-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-Val-Cit-PAB is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
870487-09-5
UNSPSC
12352203
Hazard Statement
H302, H315, H319, H335
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/boc-val-cit-pab.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OCC(C=C1)=CC=C1NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(OC(C)(C)C)=O)=O)=O
Molecular Formula
C23H37N5O6
Molecular Weight
479.57
Precautions
H302, H315, H319, H335
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
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; Protease Cleavable Linker

Chemical Information

Boc-Val-Cit-PABA
CAS Number870487-09-5
PubChem CID59841854
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC23H37N5O6
Molecular Weight479.6
XLogP1.1
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity686
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H37N5O6/c1-14(2)18(28-22(33)34-23(3,4)5)20(31)27-17(7-6-12-25-21(24)32)19(30)26-16-10-8-15(13-29)9-11-16/h8-11,14,17-18,29H,6-7,12-13H2,1-5H3,(H,26,30)(H,27,31)(H,28,33)(H3,24,25,32)/t17-,18-/m0/s1
InChIKey
VYCVAPFXSOAOCL-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Boc-Val-Cit-PABA
CAS: 870487-09-5
CID: 59841854
Formula: C23H37N5O6
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass479.27438392
Monoisotopic Mass479.27438392
Topological Polar Surface Area172 Ų
Heavy Atom Count34
Formal Charge0
Complexity686
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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