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ZD-7114 (hydrochloride)

CAT: 0804-HY-101320ASize: 1 EachDry Ice: NoHazardous: No
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Description
ZD-7114 hydrochloride is a potent and selective agonist of β3-adrenergic. ZD-7114 hydrochloride is a selective thermogenic agent in vivo. ZD-7114 hydrochloride can be used in study obesity and diabetes[1].
CAS Number
129689-28-7
Product Name Alternative
ICI-D 7114 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H400
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/zd-7114-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOC)COC1=CC=C(OCCNC[C@H](O)COC2=CC=CC=C2)C=C1.Cl
Molecular Formula
C22H31ClN2O6
Molecular Weight
454.94
Precautions
P273-P391-P501
References & Citations
[1]Howe, Ralph, et al. Selective .beta.3-adrenergic agonists of brown adipose tissue and thermogenesis. 2. [4-[2-[ (2-Hydroxy-3-phenoxypropyl) amino]ethoxy]phenoxy]acetamides. Journal of Medicinal Chemistry, 35 (10), 1759–1764.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

ZD 7114 hydrochloride
CAS Number129689-28-7
PubChem CID9890216
IUPAC Name2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide;hydrochloride
Molecular FormulaC22H31ClN2O6
Molecular Weight454.9
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count31
Formal Charge0
Complexity439
SMILES
COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@@H](COC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C22H30N2O6.ClH/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19;/h2-10,18,23,25H,11-17H2,1H3,(H,24,26);1H/t18-;/m0./s1
InChIKey
KCAMZVQSGDBGGF-FERBBOLQSA-N
Chemical Structure
2D Structure
2D structure of ZD 7114 hydrochloride
CAS: 129689-28-7
CID: 9890216
Formula: C22H31ClN2O6
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass454.1870644
Monoisotopic Mass454.1870644
Topological Polar Surface Area98.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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