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Prostate Specific Antigen Substrate

CAT: 0804-HY-P5990-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5990-01Size:1 mg
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Description
Prostate Specific Antigen Substrate is a prostate specific antigen (PSA) fluorescent substrate. Prostate Specific Antigen Substrate can be used for detect enzymatic activity of PSA[1].
CAS Number
380225-52-5
UNSPSC
12352209
Target
PSMA
Type
Peptides
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/prostate-specific-antigen-substrate.html
Purity
98.79
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(NC1=CC2=C(C(C)=CC(O2)=O)C=C1)=O)=O)=O)=O)=O)[C@H](CC3=CNC=N3)NC(N4CCOCC4)=O
Molecular Formula
C44H64N12O13
Molecular Weight
969.05
References & Citations
[1]Denmeade SR, et al. Prostate-specific antigen (PSA) protein does not affect growth of prostate cancer cells in vitro or prostate cancer xenografts in vivo. Prostate. 2003 Jun 15;56 (1) :45-53.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Prostate Specific Antigen Substrate
CAS Number380225-52-5
PubChem CID169450750
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(morpholine-4-carbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)pentanediamide
Molecular FormulaC44H64N12O13
Molecular Weight969.1
XLogP-3.3
Topological Polar Surface Area381
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Heavy Atom Count69
Formal Charge0
Complexity1830
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)N4CCOCC4
InChI
InChI=1S/C44H64N12O13/c1-24(2)16-31(40(63)51-30(9-10-36(46)59)38(61)49-26-7-8-28-25(3)17-37(60)69-35(28)19-26)52-39(62)29(6-4-5-11-45)50-42(65)33(21-57)54-43(66)34(22-58)53-41(64)32(18-27-20-47-23-48-27)55-44(67)56-12-14-68-15-13-56/h7-8,17,19-20,23-24,29-34,57-58H,4-6,9-16,18,21-22,45H2,1-3H3,(H2,46,59)(H,47,48)(H,49,61)(H,50,65)(H,51,63)(H,52,62)(H,53,64)(H,54,66)(H,55,67)/t29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
NEIZLGXRBMPOOJ-CVUOCSEZSA-N
Chemical Structure
2D Structure
2D structure of Prostate Specific Antigen Substrate
CAS: 380225-52-5
CID: 169450750
Formula: C44H64N12O13
MW: 969.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight969.1
XLogP3-3.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Exact Mass968.47158014
Monoisotopic Mass968.47158014
Topological Polar Surface Area381 Ų
Heavy Atom Count69
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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