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Mal-VC-PAB-PNP

CAT: 0804-HY-148461-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148461-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-VC-PAB-PNP is a cleavable ADC linker. Mal-VC-PAB-PNP can be used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
1096584-62-1
UNSPSC
12352203
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/mal-vc-pab-pnp.html
Purity
99.21
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=[N+]([O-])C(C=C1)=CC=C1OC(OCC(C=C2)=CC=C2NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCN3C(C=CC3=O)=O)=O)=O)=O)=O
Molecular Formula
C32H37N7O11
Molecular Weight
695.68
References & Citations
[1]Xueshi Hao, et al. Antibody conjugates comprising sting agonist. WO2020089815A1.
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

Mal-VC-PAB-PNP
CAS Number1096584-62-1
PubChem CID142463728
IUPAC Name[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
Molecular FormulaC32H37N7O11
Molecular Weight695.7
XLogP1.3
Topological Polar Surface Area261
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count50
Formal Charge0
Complexity1270
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C32H37N7O11/c1-19(2)28(37-25(40)15-17-38-26(41)13-14-27(38)42)30(44)36-24(4-3-16-34-31(33)45)29(43)35-21-7-5-20(6-8-21)18-49-32(46)50-23-11-9-22(10-12-23)39(47)48/h5-14,19,24,28H,3-4,15-18H2,1-2H3,(H,35,43)(H,36,44)(H,37,40)(H3,33,34,45)/t24-,28-/m0/s1
InChIKey
WZLBRPXGGXMQRU-CUBQBAPOSA-N
Chemical Structure
2D Structure
2D structure of Mal-VC-PAB-PNP
CAS: 1096584-62-1
CID: 142463728
Formula: C32H37N7O11
MW: 695.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight695.7
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass695.25510502
Monoisotopic Mass695.25510502
Topological Polar Surface Area261 Ų
Heavy Atom Count50
Formal Charge0
Complexity1270
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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