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ERD03

CAT: 0804-HY-139059-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139059-01Size:5 mg
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Description
ERD03 is a potent disruptor of the EXOSC3-RNA interaction, with a Kd of 17±7 μM . ERD03 induces PCH1B-like phenotype in zebrafish embryo and can be used for neurological disorder disease research[1].
CAS Number
1377897-01-2
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/erd03.html
Purity
99.98
Smiles
O=C(N1CC2=C(C=CC=C2)C(O)C1)C3=CC=CC(CCC(C)(O)C)=C3
Molecular Formula
C21H25NO3
Molecular Weight
339.43
References & Citations
[1]Liberty François-Moutal, et al. A Chemical Biology Approach to Model Pontocerebellar Hypoplasia Type 1B (PCH1B) . ACS Chem Biol. 2018 Oct 19;13 (10) :3000-3010.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol

(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone is an isoquinolol that is 1,2,3,4-tetrahydroisoquinolin-4-ol in which the hydrogen of the secondary amine is substituted by a 3-(3-hydroxy-3-methylbutyl)benzoyl group. It is a tertiary carboxamide, a member of benzamides, an isoquinolinol, a tertiary alcohol and a secondary alcohol.

CAS Number1377897-01-2
PubChem CID70761166
IUPAC Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
Molecular FormulaC21H25NO3
Molecular Weight339.4
XLogP2.3
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
CC(C)(CCC1=CC(=CC=C1)C(=O)N2CC(C3=CC=CC=C3C2)O)O
InChI
InChI=1S/C21H25NO3/c1-21(2,25)11-10-15-6-5-8-16(12-15)20(24)22-13-17-7-3-4-9-18(17)19(23)14-22/h3-9,12,19,23,25H,10-11,13-14H2,1-2H3
InChIKey
HYVUFYJZMRRTOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol
CAS: 1377897-01-2
CID: 70761166
Formula: C21H25NO3
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass339.18344366
Monoisotopic Mass339.18344366
Topological Polar Surface Area60.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
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

Alternative Products

CatalogName
T61072-01ERD03

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