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Amitriptyline-d6 (hydrochloride)

CAT: 0804-HY-B0527AS-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0527AS-01Size:1 mg
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Description
Amitriptyline-d6 hydrochloride is the deuterium labeled Amitriptyline hydrochloride. Amitriptyline hydrochloride is an orally active tricyclic antidepressant (TCA). Amitriptyline hydrochloride mainly exerts its antidepressant effect by blocking SERT (Ki = 3.45 nM) and NET (Ki = 13.3 nM), thereby increasing the concentrations of 5-hydroxytryptamine (5-HT) and norepinephrine (NE) in the synaptic cleft. Amitriptyline hydrochloride is also an agonist at α2A and TrkA/TrkB receptors, thereby exerting analgesic and neurotrophic activities (inhibiting cell apoptosis). Amitriptyline hydrochloride can reduce inflammation, angiogenesis and fibrosis. Amitriptyline hydrochloride binds to DAT (with Ki = 2.58 μM). Amitriptyline hydrochloride has high affinity for a series of receptors and can antagonize muscarinic cholinergic receptors (M1/M2/M3/M4/M5 receptors) (Ki = 11-24 nM), H1 receptors (Ki = 0.5-1.1 nM), adrenergic α1 receptors (Ki = 4.4 nM), etc., resulting in a series of side effects. Amitriptyline hydrochloride can block sodium channels and hERG potassium channel (IC50 = 4.78 μM) and it has cardiotoxicity.
CAS Number
203645-63-0
UNSPSC
12352005
Hazard Statement
H301
Target
5-HT Receptor; Adrenergic Receptor; Apoptosis; Dopamine Transporter; Histamine Receptor; Isotope-Labeled Compounds; mAChR; Potassium Channel; Serotonin Transporter; Sodium Channel; Trk Receptor
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; GPCR/G Protein; Immunology/Inflammation; Membrane Transporter/Ion Channel; Neuronal Signaling; Others; Protein Tyrosine Kinase/RTK
Field of Research
Endocrinology; Inflammation/Immunology; Neurological Disease
Purity
99.93
Solubility
10 mM in DMSO|DMSO : ≥ 100mg/mL|H2O : ≥ 50mg/mL
Smiles
[2H]C([2H])([2H])N(C([2H])([2H])[2H])CC/C=C1C2=CC=CC=C2CCC3=CC=CC=C3/1.Cl
Molecular Formula
C20H18D6ClN
Molecular Weight
319.90
Precautions
H301
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Jang, S.W., et al., Amitriptyline is a TrkA and TrkB receptor agonist that promotes TrkA/TrkB heterodimerization and has potent neurotrophic activity. Chem Biol, 2009. 16 (6) : p. 644-56.|[3]Kim Lawson. A Brief Review of the Pharmacology of Amitriptyline and Clinical Outcomes in Treating Fibromyalgia. Biomedicines. 2017 Jun; 5 (2) : 24.|[4]S Neil Vaishnavi , et al. Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55 (3) :320-2.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine-d6 Hydrochloride
CAS Number203645-63-0
PubChem CID76974221
IUPAC Name3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
Molecular FormulaC20H24ClN
Molecular Weight319.9
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity331
SMILES
[2H]C([2H])([2H])N(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
InChIKey
KFYRPLNVJVHZGT-TXHXQZCNSA-N
Chemical Structure
2D Structure
2D structure of 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine-d6 Hydrochloride
CAS: 203645-63-0
CID: 76974221
Formula: C20H24ClN
MW: 319.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass319.1973879
Monoisotopic Mass319.1973879
Topological Polar Surface Area3.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity331
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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