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MCI-225 dehydratase

CAT: 0013-GTR19234173-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234173-01Size:25 mg
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Description
MCI-225 dehydratase is an orally active small molecule with a dual mechanism: it selectively inhibits norepinephrine reuptake and acts as a 5-HT3 receptor antagonist. This profile underlies its demonstrated antidepressant activity in vivo, making it a useful research tool for neuropharmacology and psychiatric disorder models.
CAS Number
99487-26-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.FC=1C=CC=CC1C=2N=C (N=C3SC (=CC32) C) N4CCNCC4
Molecular Formula
C17H18ClFN4S
Molecular Weight
364.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thieno(2,3-d)pyrimidine, 4-(2-fluorophenyl)-6-methyl-2-(1-piperazinyl)-, monohydrochloride
CAS Number99487-26-0
PubChem CID3062912
IUPAC Name4-(2-fluorophenyl)-6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine;hydrochloride
Molecular FormulaC17H18ClFN4S
Molecular Weight364.9
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4F.Cl
InChI
InChI=1S/C17H17FN4S.ClH/c1-11-10-13-15(12-4-2-3-5-14(12)18)20-17(21-16(13)23-11)22-8-6-19-7-9-22;/h2-5,10,19H,6-9H2,1H3;1H
InChIKey
ULXKGHLJAPRUPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thieno(2,3-d)pyrimidine, 4-(2-fluorophenyl)-6-methyl-2-(1-piperazinyl)-, monohydrochloride
CAS: 99487-26-0
CID: 3062912
Formula: C17H18ClFN4S
MW: 364.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass364.0924736
Monoisotopic Mass364.0924736
Topological Polar Surface Area69.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
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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Alternative Products

CatalogName
HY-123498MCI-225 (dehydratase)
T88045-01MCI-225 dehydratase
KFA99148-01MCI 225
M21940-01MCI-225
A15502-100MCI-225 100mg
A15502-50MCI-225 50mg
A15502-1MCI-225 1mg
A15502-25MCI-225 25mg
A15502-5MCI-225 5mg
A15502-2MCI-225 2mg

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