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RR-11a

CAT: 0804-HY-112205-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-112205-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RR-11a is a synthetic enzyme inhibitor of Legumain (IC50=31-55 nM) . RR-11a can be used for the research of cancer and acute myocardial infarction (AMI) [1][2][3].
CAS Number
1361390-56-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Legumain
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/RR-11a.html
Concentration
10mM
Purity
98.08
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N[C@@H](C)C(N[C@@H](C)C(NN(CC(N)=O)C(/C=C/C(ON1C(CCC1=O)=O)=O)=O)=O)=O)OCC2=CC=CC=C2
Molecular Formula
C24H28N6O10
Molecular Weight
560.51
Precautions
H302, H315, H319, H335
References & Citations
[1]Liao D, et al. Synthetic enzyme inhibitor: a novel targeting ligand for nanotherapeutic drug delivery inhibiting tumor growth without systemic toxicity. Nanomedicine. 2011 Dec;7 (6) :665-73.|[2]Ralph A, et al. Nanoparticle-based tumor-targeted drug delivery. Patent: CA2809617C|[3]Yang H, et al. Legumain is a predictor of all-cause mortality and potential therapeutic target in acute myocardial infarction. Cell Death Dis. 2020;11 (11) :1014. Published 2020 Nov 26.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5S,8S,E)-2,5-Dioxopyrrolidin-1-yl 11-(2-amino-2-oxoethyl)-5,8-dimethyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadec-13-en-15-oate
CAS Number1361390-56-8
PubChem CID88556687
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]amino]-4-oxobut-2-enoate
Molecular FormulaC24H28N6O10
Molecular Weight560.5
XLogP-1.2
Topological Polar Surface Area224
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity1040
SMILES
C[C@@H](C(=O)NN(CC(=O)N)C(=O)/C=C/C(=O)ON1C(=O)CCC1=O)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C24H28N6O10/c1-14(27-24(38)39-13-16-6-4-3-5-7-16)22(36)26-15(2)23(37)28-29(12-17(25)31)18(32)10-11-21(35)40-30-19(33)8-9-20(30)34/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H2,25,31)(H,26,36)(H,27,38)(H,28,37)/b11-10+/t14-,15-/m0/s1
InChIKey
OBTLSXIZYGMZRE-BWLFODOESA-N
Chemical Structure
2D Structure
2D structure of (5S,8S,E)-2,5-Dioxopyrrolidin-1-yl 11-(2-amino-2-oxoethyl)-5,8-dimethyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadec-13-en-15-oate
CAS: 1361390-56-8
CID: 88556687
Formula: C24H28N6O10
MW: 560.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.5
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass560.18669111
Monoisotopic Mass560.18669111
Topological Polar Surface Area224 Ų
Heavy Atom Count40
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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