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Cinacalcet

CAT: 0931-T8403-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T8403-06Size:500 mg
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CAS Number
226256-56-0
Target
CaSR, Endogenous Metabolite
Related Pathways
Metabolism, GPCR/G Protein
Purity
0.9982
Bioactivity
Cinacalcet (AMG 073) is an orally active, allosteric Ca receptor (CaR) agonist used in the treatment of cardiovascular disease.
Smiles
[C@@H](NCCCC1=CC(C(F)(F)F)=CC=C1)(C)C=2C3=C(C=CC2)C=CC=C3
Molecular Formula
C22H22F3N
Molecular Weight
357.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinacalcet

Cinacalcet is a secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group. It has a role as a calcimimetic and a P450 inhibitor. It is a member of naphthalenes, a secondary amino compound and a member of (trifluoromethyl)benzenes.

CAS Number226256-56-0
PubChem CID156419
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Molecular FormulaC22H22F3N
Molecular Weight357.4
XLogP6.1
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity422
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
InChIKey
VDHAWDNDOKGFTD-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Cinacalcet
CAS: 226256-56-0
CID: 156419
Formula: C22H22F3N
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass357.17043419
Monoisotopic Mass357.17043419
Topological Polar Surface Area12 Ų
Heavy Atom Count26
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3313-5.1Cinacalcet
B1423-50Cinacalcet HCl
HY-70037A-01Cinacalcet (hydrochloride)
TRC-C441800-10MGCinacalcet Hydrochloride
TRC-H291100-250MGHexahydrophenyl Cinacalcet
RM-C030311-01Cinacalcet Impurity H (Cinacalcet S-Isomer)
CS-O-02678Cinacalcet-d3

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