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Boc-QAR-pNA

CAT: 0804-HY-P4458Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P4458Size:1 Each
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Description
Boc-QAR-pNA is a chromogenic substrate of trypsin. Boc-QAR-pNA can be used to test trypsin activity[1][2].
CAS Number
1926163-47-4
UNSPSC
12352209
Target
Ser/Thr Protease
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/boc-qar-pna.html
Solubility
10 mM in DMSO
Smiles
CC(C)(C)OC(N[C@@H](CCC(N)=O)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(NC1=CC=C(C=C1)[N+]([O-])=O)=O)=O)=O)=O
Molecular Formula
C25H39N9O8
Molecular Weight
593.63
References & Citations
[1]Fabritz S, et, al. From pico to nano: biofunctionalization of cube-octameric silsesquioxanes by peptides and miniproteins. Org Biomol Chem. 2012 Aug 21;10 (31) :6287-93. |[2]Avrutina O, et, al. Between two worlds: a comparative study on in vitro and in silico inhibition of trypsin and matriptase by redox-stable SFTI-1 variants at near physiological pH. Org Biomol Chem. 2012 Oct 14;10 (38) :7753-62.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Boc-QAR-pNA
CAS Number1926163-47-4
PubChem CID67113978
IUPAC Nametert-butyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
Molecular FormulaC25H39N9O8
Molecular Weight593.6
XLogP-0.8
Topological Polar Surface Area279
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity997
SMILES
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C25H39N9O8/c1-14(30-21(37)18(11-12-19(26)35)33-24(39)42-25(2,3)4)20(36)32-17(6-5-13-29-23(27)28)22(38)31-15-7-9-16(10-8-15)34(40)41/h7-10,14,17-18H,5-6,11-13H2,1-4H3,(H2,26,35)(H,30,37)(H,31,38)(H,32,36)(H,33,39)(H4,27,28,29)/t14-,17-,18-/m0/s1
InChIKey
OVDKLYABPRRXIH-WBAXXEDZSA-N
Chemical Structure
2D Structure
2D structure of Boc-QAR-pNA
CAS: 1926163-47-4
CID: 67113978
Formula: C25H39N9O8
MW: 593.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.6
XLogP3-0.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass593.29215924
Monoisotopic Mass593.29215924
Topological Polar Surface Area279 Ų
Heavy Atom Count42
Formal Charge0
Complexity997
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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