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Calhex 231 (hydrochloride)

CAT: 0804-HY-103320A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103320A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Calhex 231 hydrochloride is a potent negative allosteric modulator that blocks (IC50 = 0.39 μM) increases in [3H]inositol phosphates elicited by activating the human wild-type CaSR transiently Ca2+-sensing receptor. Calhex 231 hydrochloride can be used in the study of traumatic hemorrhagic shock (THS) and diabetic cardiomyopathy (DCM) [1].
CAS Number
2387505-78-2
UNSPSC
12352005
Target
CaSR
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/calhex-231-hydrochloride.html
Purity
99.81
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=C(N[C@@H]1[C@@H](N[C@@H](C2=C3C=CC=CC3=CC=C2)C)CCCC1)C4=CC=C(Cl)C=C4.[H]Cl
Molecular Formula
C25H28Cl2N2O
Molecular Weight
443.41
References & Citations
[1]Christophe Petrel, et al. Modeling and mutagenesis of the binding site of Calhex 231, a novel negative allosteric modulator of the extracellular Ca (2+) -sensing receptor. J Biol Chem. 2003 Dec 5;278 (49) :49487-94.|[2]Petrel C1, et al. Modeling and mutagenesis of the binding site of Calhex 231, a novel negative allosteric modulator of the extracellular Ca (2+) -sensing receptor. J Biol Chem. 2003 Dec 5;278 (49) :49487-94.|[3]Yan Lei, et al. The Calcilytic Drug Calhex-231 Ameliorates Vascular Hyporesponsiveness in Traumatic Hemorrhagic Shock by Inhibiting Oxidative Stress and miR-208a-Mediated Mitochondrial Fission. Oxid Med Cell Longev. 2020 Dec 3:2020:4132785.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Citation 01
Food Chem. 2024 Jul 6:459:140359.|Front Pharmacol. 2022 Feb 23:13:816133.|Front Pharmacol. 2022 Feb 23;13:816133.|J Funct Foods. 2025 Apr.|Mol Nutr Food Res. 2024 Feb;68 (4) :e2200726.|Eur J Pharmacol. 2024 Jul 31:980:176828.|J Nat Med. 2025 Sep;79 (5) :1154-1166.

Chemical Information

Calhex 231 hydrochloride
CAS Number2387505-78-2
PubChem CID11849513
IUPAC Name4-chloro-N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide;hydrochloride
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.4
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity533
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCCC[C@@H]3NC(=O)C4=CC=C(C=C4)Cl.Cl
InChI
InChI=1S/C25H27ClN2O.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19;/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29);1H/t17-,23+,24+;/m1./s1
InChIKey
KZPHZSFSFANQIS-GRFVZBLOSA-N
Chemical Structure
2D Structure
2D structure of Calhex 231 hydrochloride
CAS: 2387505-78-2
CID: 11849513
Formula: C25H28Cl2N2O
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass442.1578689
Monoisotopic Mass442.1578689
Topological Polar Surface Area41.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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