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Val-Cit-PAB-OSBT

CAT: 0804-HY-78736-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-78736-01Size:100 mg
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Description
Val-Cit-PAB-OSBT is a degradable ADC linker, which is composed of the polypeptide Val-Cit-PAB and OSBT groups coupled together[1].
CAS Number
2210262-26-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ADC Linker
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/val-cit-pab-osbt.html
Purity
99.77
Solubility
DMSO : 300 mg/mL (ultrasonic)
Smiles
N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC1=CC=C(CO[Si](C)(C)C(C)(C)C)C=C1)=O)=O
Molecular Formula
C24H43N5O4Si
Molecular Weight
493.71
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Val-Cit-PAB-OSBT
CAS Number2210262-26-1
PubChem CID118703635
IUPAC Name(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(carbamoylamino)pentanamide
Molecular FormulaC24H43N5O4Si
Molecular Weight493.7
Topological Polar Surface Area149
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity673
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO[Si](C)(C)C(C)(C)C)N
InChI
InChI=1S/C24H43N5O4Si/c1-16(2)20(25)22(31)29-19(9-8-14-27-23(26)32)21(30)28-18-12-10-17(11-13-18)15-33-34(6,7)24(3,4)5/h10-13,16,19-20H,8-9,14-15,25H2,1-7H3,(H,28,30)(H,29,31)(H3,26,27,32)/t19-,20-/m0/s1
InChIKey
GFLUZYWIOXHYRH-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of Val-Cit-PAB-OSBT
CAS: 2210262-26-1
CID: 118703635
Formula: C24H43N5O4Si
MW: 493.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight493.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass493.30843140
Monoisotopic Mass493.30843140
Topological Polar Surface Area149 Ų
Heavy Atom Count34
Formal Charge0
Complexity673
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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