Clozapine-d8 - ≥98 atom% D,≥98% , CAS No.1185053-50-2

CAS: 1185053-50-2 Cat. No.: C336634 Formula: C₁₈H₁₁D₈ClN₄ Peso molecolare: 334.87 Numero EC: 227-313-7(unlabeled)

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Liponex-d8

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Clozapine-d8 is a deuterium-labeled version of the compound Clozapine . Clozapine is noted to bind preferentially to D4DR (D4-dopamine) and SR-2 (5HT|2|-serotonin receptors) and acts as a weak D1 and D2 antagonist. Clozapine is also reported to bind with the SR-2 (5HT|2|), SR-6 (5HT|6|) and SR-7 (5HT|7|receptors). Two major metabolites of Clozapine are reported to be N-Desmethyl Clozapine (labeled compound; sc-219117) and Clozapine N-oxide . Additionally, reversed-phase HPLC has been reported as a method of identification of Clozapine and its two major metabolites. In studies investigating the induction of neutrophil apoptosis in rabbits by oxidation of Clozapine into reactive nitrenium ion, it was noted that Clozapine increased the rate of neutrophil release from bone marrow while also affecting the neutrophil half-life in the peripheral blood stream of rabbits.

Specifications

Sinonimi

Liponex-d8

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98 atom% D,≥98%

Proprietà del prodotto

pKa

pKₐ: 7.5, pKₐ: 7.33 (Predicted) (unlabeled)

Dati Ki

Histamine H1 Receptor: Ki= 0.57 nM (human); mAChR M1: Ki= 0.98 nM (human); α2C-AR: Ki= 1.14 nM (human); SR-2A: Ki= 1.2 nM (human); SR-2C: Ki= 3.16 nM (human) (unlabeled)

Nomi e identificatori

Pubchem Sid

504773445

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773445

Sorrisi canonici

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

IUPAC Name

3-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

InChIKey

QZUDBNBUXVUHMW-JNJBWJDISA-N

INCHI

1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3/i8D2,9D2,10D2,11D2

WGK Germania

3 (unlabeled)

RTECS

HP1750000

Peso molecolare

334.87

Reaxy-Rn

764984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=764984&ln=

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (65 mg/ml at 25° C), ethanol (32 mg/ml at 25° C), water (<1 mg/ml at 25° C), DMF (~12.5 mg/ml), and methanol (9.80-10.20 mg/ml). (unlabeled)
• Indice di rifrazione: n20D1.68 (Predicted)
• Punto di ebollizione (°C): 489.16° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 174-177° C
• Peso molecolare: 334.900 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 334.18 Da
• Monoisotopic Mass: 334.18 Da
• Topological Polar Surface Area: 30.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 8
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1