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BMS-199264 hydrochloride

CAT: 0013-GTR19198052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198052-01Size:1 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 the salt of a potent, selective mitochondrial F1F0 ATP hydrolase inhibitor (IC50=0.5 μM) . It has demonstrated cardioprotective effects in research, mitigating ATP depletion during myocardial ischemia, reducing necrosis, and improving contractile function recovery post-reperfusion in experimental models.
CAS Number
186180-83-6
Product Name Alternative
BMS 199264 Hydrochloride, BMS 199264 hydrochloride, BMS199264 hydrochloride, BMS-199264 Hydrochloride
Field of Research
Pharmacology & Drug Discovery
Purity
99.86% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.81 mM) ; DMSO:80 mg/mL (140.96 mM)
Smiles
N (CC=1NC=CN1) ([C@@H]2C=3C (OC (C) (C) [C@H]2O) =CC=C (S (=O) (=O) N4CCCCC4) C3) C5=CC=C (Cl) C=C5.Cl
Molecular Formula
C26H32Cl2N4O4S
Molecular Weight
567.53
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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