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Lumateperone Tosylate

CAT: 0013-GTR19166309-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166309-01Size:5 mg
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Description
Lumateperone tosylate (ITI-007) is a multifunctional small molecule acting as a potent 5-HT2A receptor antagonist, a serotonin transporter (SERT) blocker, and a dopamine D2 receptor modulator with presynaptic partial agonism and postsynaptic antagonism. It is utilized in preclinical research for investigating neuropsychiatric disorders, including schizophrenia and mood disorders, in both in vitro and in vivo models.
CAS Number
1187020-80-9
Product Name Alternative
Dopamine Receptor, Dopamine, dopamine D1 receptor, DopamineReceptor, 5-HT2A, 5-HT2A antagonist, 5-HT Receptor, 5-hydroxytryptamine Receptor, 5HTReceptor, 5HT Receptor, Lumateperone, lumateperone Tosylate, inhibit, ITI007, ITI-007, ITI 007, Inhibitor, postsynaptic D2 receptor, Serotonin Receptor, presynaptic D2 receptor, SERT, schizophrenia
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
95.83% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (8.84 mM) ; DMSO:250 mg/mL (441.93 mM)
Smiles
Cc1ccc (cc1) S (O) (=O) =O.CN1CCN2C3CCN (CCCC (=O) c4ccc (F) cc4) CC3c3cccc1c23
Molecular Formula
C31H36FN3O4S
Molecular Weight
565.7
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Lumateperone Tosylate

See also: Lumateperone (has active moiety).

CAS Number1187020-80-9
PubChem CID44241743
IUPAC Name1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic acid
Molecular FormulaC31H36FN3O4S
Molecular Weight565.7
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity799
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1
InChIKey
LHAPOGAFBLSJJQ-GUTACTQSSA-N
Chemical Structure
2D Structure
2D structure of Lumateperone Tosylate
CAS: 1187020-80-9
CID: 44241743
Formula: C31H36FN3O4S
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass565.24105597
Monoisotopic Mass565.24105597
Topological Polar Surface Area89.5 Ų
Heavy Atom Count40
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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HY-19733-01Lumateperone (tosylate)
JH915789Lumateperone Tosylate
A12279-50Lumateperone Tosylate 50mg
A12279-5Lumateperone Tosylate 5mg
A12279-100Lumateperone Tosylate 100mg
A12279-25Lumateperone Tosylate 25mg
A12279-10Lumateperone Tosylate 10mg
HY-19733SLumateperone-13C, d3 (tosylate)

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