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ITH-12575

CAT: 0013-GTR19197450-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197450-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ITH-12575 is a small molecule inhibitor of the mitochondrial Na+/Ca2+ exchanger (mNCX) that also suppresses Ca2+ influx via CALHM1 channels at low μM concentrations. This dual activity makes it a useful research tool for studying calcium dyshomeostasis in models of neurological disorders, both in cellular and animal studies.
CAS Number
1802013-08-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.53% (May vary between batches)
Smiles
O=C1NC2=CC=C (Cl) C=C2C (SC1) C=3C=CC=CC3C (C) C
Molecular Formula
C18H18ClNOS
Molecular Weight
331.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Chloro-1,5-dihydro-5-[2-(1-methylethyl)phenyl]-4,1-benzothiazepin-2(3H)-one
CAS Number1802013-08-6
PubChem CID124201848
IUPAC Name7-chloro-5-(2-propan-2-ylphenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
Molecular FormulaC18H18ClNOS
Molecular Weight331.9
XLogP4.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity403
SMILES
CC(C)C1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)NC(=O)CS2
InChI
InChI=1S/C18H18ClNOS/c1-11(2)13-5-3-4-6-14(13)18-15-9-12(19)7-8-16(15)20-17(21)10-22-18/h3-9,11,18H,10H2,1-2H3,(H,20,21)
InChIKey
RDMUJSJZBYAAEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-1,5-dihydro-5-[2-(1-methylethyl)phenyl]-4,1-benzothiazepin-2(3H)-one
CAS: 1802013-08-6
CID: 124201848
Formula: C18H18ClNOS
MW: 331.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.9
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass331.0797631
Monoisotopic Mass331.0797631
Topological Polar Surface Area54.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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