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Mc-Val-Cit-PAB-Cl

CAT: 0804-HY-112099-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112099-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mc-Val-Cit-PAB-Cl is a cleavable ADC linker. Mc-Val-Cit-PAB-Cl can be used to conjugate MMAE and antibody to form antibody-MC-vc-MMAE (e.g., anti-CD22-MC-VC-PABC-MMAE with IC50s of 3.3 and 0.95 nM for BJAB and WSU cell lines in cytotoxicity assay) .
CAS Number
1639351-92-0
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/mc-val-cit-pab-cl.html
Purity
99.67
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N1CCCCCC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC2=CC=C(CCl)C=C2)=O)=O)=O)C=CC1=O
Molecular Formula
C28H39ClN6O6
Molecular Weight
591.10
Precautions
H302, H315, H319, H335
References & Citations
[1]Staben LR, et al. Stabilizing a Tubulysin Antibody-Drug Conjugate To Enable Activity Against Multidrug-Resistant Tumors. ACS Med Chem Lett. 2017 Sep 5;8 (10) :1037-1041.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Protease Cleavable Linker

Chemical Information

Mc-Val-Cit-PAB-Cl
CAS Number1639351-92-0
PubChem CID117719308
IUPAC NameN-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(chloromethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
Molecular FormulaC28H39ClN6O6
Molecular Weight591.1
XLogP1.3
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count41
Formal Charge0
Complexity948
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CCl)NC(=O)CCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C28H39ClN6O6/c1-18(2)25(34-22(36)8-4-3-5-16-35-23(37)13-14-24(35)38)27(40)33-21(7-6-15-31-28(30)41)26(39)32-20-11-9-19(17-29)10-12-20/h9-14,18,21,25H,3-8,15-17H2,1-2H3,(H,32,39)(H,33,40)(H,34,36)(H3,30,31,41)/t21-,25-/m0/s1
InChIKey
TUMQZNBKSWFFAZ-OFVILXPXSA-N
Chemical Structure
2D Structure
2D structure of Mc-Val-Cit-PAB-Cl
CAS: 1639351-92-0
CID: 117719308
Formula: C28H39ClN6O6
MW: 591.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.1
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass590.2619607
Monoisotopic Mass590.2619607
Topological Polar Surface Area180 Ų
Heavy Atom Count41
Formal Charge0
Complexity948
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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