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RNF114 ligand 1

CAT: 0804-HY-156499-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156499-01Size:5 mg
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Description
RNF114 ligand 1 is a E3 Ubiquitin ligase binder[1].
CAS Number
900137-36-2
UNSPSC
12352005
Hazard Statement
H302, H315, H318, H335
Target
E1/E2/E3 Enzyme
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/rnf114-ligand-1.html
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CCl)N1CCCC1C2=CC(OC)=CC=C2OC
Molecular Formula
C14H18ClNO3
Molecular Weight
283.75
Precautions
H302, H315, H318, H335
References & Citations
[1]Jessica S, ta al. Covalent targeting of e3 ligases. The US, WO2020076996A1. 2019-10-09.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one
CAS Number900137-36-2
PubChem CID16226868
IUPAC Name2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
Molecular FormulaC14H18ClNO3
Molecular Weight283.75
XLogP2.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity313
SMILES
COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCl
InChI
InChI=1S/C14H18ClNO3/c1-18-10-5-6-13(19-2)11(8-10)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKey
RZXUCAQMZIQIRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one
CAS: 900137-36-2
CID: 16226868
Formula: C14H18ClNO3
MW: 283.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.75
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass283.0975211
Monoisotopic Mass283.0975211
Topological Polar Surface Area38.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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