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BMS-191095 hydrochloride

CAT: 0931-T204668-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204668-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166095-95-0
Target
Potassium Channel, Dehydrogenase
Related Pathways
Membrane transporter/Ion channel, Metabolism
Bioactivity
BMS-191095 hydrochloride is a mitochondrial KATP channel opener. It offers cardioprotective benefits without causing vasodilation or impacting electrophysiology. Its protective mechanisms include prolonging myocardial contraction during ischemia, enhancing contractile function post-reperfusion, and reducing lactate dehydrogenase (LDH) release.
Smiles
N(CC=1NC=CN1)([C@H]2C=3C(OC(C)(C)[C@@H]2O)=CC=C(C#N)C3)C4=CC=C(Cl)C=C4.Cl
Molecular Formula
C22H22Cl2N4O2
Molecular Weight
445.342
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BMS-191095 hydrochloride
CAS Number166095-95-0
PubChem CID24835282
IUPAC Name(3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;hydrochloride
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.3
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity615
SMILES
CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)C.Cl
InChI
InChI=1S/C22H21ClN4O2.ClH/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16;/h3-11,20-21,28H,13H2,1-2H3,(H,25,26);1H/t20-,21+;/m0./s1
InChIKey
TZLMTXNZECPICU-JUDYQFGCSA-N
Chemical Structure
2D Structure
2D structure of BMS-191095 hydrochloride
CAS: 166095-95-0
CID: 24835282
Formula: C22H22Cl2N4O2
MW: 445.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass444.1119813
Monoisotopic Mass444.1119813
Topological Polar Surface Area85.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity615
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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