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GGACK

CAT: 0804-HY-137495-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137495-02Size:5 mg
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Description
GGACK (H-Glu-Gly-Arg-CMK) is an irreversible substrate-like serine protease urokinase-type plasminogen activator (uPA) inhibitor[1].
CAS Number
65113-67-9
UNSPSC
12352209
Target
PAI-1; Ser/Thr Protease
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ggack.html
Purity
97.36
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(CCl)[C@H](CCCNC(N)=N)NC(CNC([C@@H](N)CCC(O)=O)=O)=O
Molecular Formula
C14H25ClN6O5
Molecular Weight
392.84
References & Citations
[1]S Sperl, et al. (4-aminomethyl) phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase. Proc Natl Acad Sci U S A. 2000 May 9;97 (10) :5113-8.
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

Glutamyl-glycyl-arginine chloromethyl ketone

RN given refers to (S)-isomer

CAS Number65113-67-9
PubChem CID3080903
IUPAC Name(4S)-4-amino-5-[[2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC14H25ClN6O5
Molecular Weight392.84
XLogP-4.8
Topological Polar Surface Area203
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
C(C[C@@H](C(=O)CCl)NCC(=O)NC(=O)[C@H](CCC(=O)O)N)CN=C(N)N
InChI
InChI=1S/C14H25ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)20-7-11(23)21-13(26)8(16)3-4-12(24)25/h8-9,20H,1-7,16H2,(H,24,25)(H4,17,18,19)(H,21,23,26)/t8-,9-/m0/s1
InChIKey
XBPBJFWGYUJISD-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of Glutamyl-glycyl-arginine chloromethyl ketone
CAS: 65113-67-9
CID: 3080903
Formula: C14H25ClN6O5
MW: 392.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.84
XLogP3-4.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass392.1574956
Monoisotopic Mass392.1574956
Topological Polar Surface Area203 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
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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