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Boc-Val-Dil-Dap-OH

CAT: 0804-HY-130961-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130961-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-Val-Dil-Dap-OH is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
1415246-54-6
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-dil-dap-oh.html
Purity
98.52
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC([C@H](NC(OC(C)(C)C)=O)C(N([C@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@H](C(O)=O)C)OC)=O)OC)[C@H](CC)C)C)=O)C
Molecular Formula
C29H53N3O8
Molecular Weight
571.75
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Céline Mordant, et al. Total synthesis of dolastatin 10 through ruthenium-catalyzed asymmetric hydrogenations. Tetrahedron. Volume 63, Issue 27, 2 July 2007, Pages 6115-6123.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker

Chemical Information

Boc-Val-Dil-Dap-OH
CAS Number1415246-54-6
PubChem CID71109643
IUPAC Name(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoic acid
Molecular FormulaC29H53N3O8
Molecular Weight571.7
XLogP3.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count40
Formal Charge0
Complexity859
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C29H53N3O8/c1-12-18(4)24(31(9)26(34)23(17(2)3)30-28(37)40-29(6,7)8)21(38-10)16-22(33)32-15-13-14-20(32)25(39-11)19(5)27(35)36/h17-21,23-25H,12-16H2,1-11H3,(H,30,37)(H,35,36)/t18-,19+,20-,21+,23-,24-,25+/m0/s1
InChIKey
OCXHPHOVIMNVPQ-UTHKHBGESA-N
Chemical Structure
2D Structure
2D structure of Boc-Val-Dil-Dap-OH
CAS: 1415246-54-6
CID: 71109643
Formula: C29H53N3O8
MW: 571.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.7
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass571.38326566
Monoisotopic Mass571.38326566
Topological Polar Surface Area135 Ų
Heavy Atom Count40
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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