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IPrAuCl

CAT: 0804-HY-W010710-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010710-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IPrAuCl (compound 3) is a gold compound. IPrAuCl inhibits sarcoplasmic reticulum Ca2+-ATPase (IC50=16.3 µM) [1].
CAS Number
852445-83-1
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Calcium Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Cardiovascular Disease
Purity
98.0
Smiles
Cl[Au]C1N(C2=C(C(C)C)C=CC=C2C(C)C)C=CN1C3=C(C(C)C)C=CC=C3C(C)C
Molecular Formula
C27H37AuClN2
Molecular Weight
622.02
Precautions
H315, H319, H335
References & Citations
[1]Fonseca, et al. The Ca2+-ATPase inhibition potential of gold (I, III) compounds. Inorganics 8.9 (2020) : 49.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Chloro(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)gold(I)
CAS Number852445-83-1
PubChem CID53338759
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold
Molecular FormulaC27H36AuClN2
Molecular Weight621.0
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity559
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1
InChIKey
CNJQLSINQGKZAW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Chloro(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)gold(I)
CAS: 852445-83-1
CID: 53338759
Formula: C27H36AuClN2
MW: 621.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass620.223272
Monoisotopic Mass620.223272
Topological Polar Surface Area6.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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