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BMS-199264 (hydrochloride)

CAT: 0804-HY-118960-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118960-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-199264 hydrochloride is an inhibitor of F1F0 ATP hydrolase (IC50=0.5 μM) without inhibitory effect on F1F0 ATP synthase. BMS-199264 hydrochloride selectively inhibits ATP decline during ischemia to reduces cardiac necrosis. BMS-199264 hydrochloride also enhances the recovery of contractile function following reperfusion[1].
CAS Number
186180-83-6
UNSPSC
12352005
Target
ATP Synthase
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bms-199264-hydrochloride.html
Purity
99.28
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@@H]1C(C)(OC2=CC=C(C=C2[C@H]1N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)S(=O)(N5CCCCC5)=O)C.Cl
Molecular Formula
C26H32Cl2N4O4S
Molecular Weight
567.53
References & Citations
[1]Grover GJ, et al. Pharmacological profile of the selective mitochondrial F1F0 ATP hydrolase inhibitor BMS-199264 in myocardial ischemia. Cardiovasc Ther. 2008 Winter;26 (4) :287-96.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3S,4R)-4-[(4-Chlorophenyl)(1H-imidazol-2-ylmethyl)amino]-3,4-dihydro-2,2-dimethyl-6-(1-piperidinylsulfonyl)-2H-1-Benzopyran-3-ol hy
CAS Number186180-83-6
PubChem CID70202986
IUPAC Name(3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-2,2-dimethyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-3-ol;hydrochloride
Molecular FormulaC26H32Cl2N4O4S
Molecular Weight567.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity841
SMILES
CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N(CC4=NC=CN4)C5=CC=C(C=C5)Cl)O)C.Cl
InChI
InChI=1S/C26H31ClN4O4S.ClH/c1-26(2)25(32)24(31(17-23-28-12-13-29-23)19-8-6-18(27)7-9-19)21-16-20(10-11-22(21)35-26)36(33,34)30-14-4-3-5-15-30;/h6-13,16,24-25,32H,3-5,14-15,17H2,1-2H3,(H,28,29);1H/t24-,25+;/m1./s1
InChIKey
CKNXQCNQMADQCI-KGQXAQPSSA-N
Chemical Structure
2D Structure
2D structure of (3S,4R)-4-[(4-Chlorophenyl)(1H-imidazol-2-ylmethyl)amino]-3,4-dihydro-2,2-dimethyl-6-(1-piperidinylsulfonyl)-2H-1-Benzopyran-3-ol hy
CAS: 186180-83-6
CID: 70202986
Formula: C26H32Cl2N4O4S
MW: 567.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight567.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass566.1521321
Monoisotopic Mass566.1521321
Topological Polar Surface Area107 Ų
Heavy Atom Count37
Formal Charge0
Complexity841
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