BMS-191095 - ≥98% , CAS No.166095-21-2

CAS: 166095-21-2 Cat. No.: B648805 Molecular Weight: 408.88 PubChem CID: 9822753
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS030526638 | K6V527OYN8 | (3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile | (3R,4S)-4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B648805-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$640.90
10mg
B648805-10mg
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$900.90
25mg
B648805-25mg
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$1,780.90
50mg
B648805-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,900.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

BMS-191095 is a selective activator of mitochondrial ATP-sensitive potassium ( mitoKATP ) channels. BMS-191095 inhibits human platelet aggregation by opening mitochondrial K(ATP) channels .

In Vitro

BMS-191095 (50 μmol/L) induces mitochondrial depolarization of vascular smooth muscle (VSM) cells from SD rats. BMS-191095 (10-100 μmol/L) dose-dependently induces vasodilation in endothelium denuded cerebral arteries. BMS-191095 (50 μmol/L) increases the frequency of calcium sparks in VSM cells. BMS-191095 (0-1500 μM) inhibits human platelet aggregation induced by collagen and thrombin with IC 50 values of 63.9 and 104.8 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BMS-191095 (2.5 or 25 μg; intraventricular infusion, 30 min/60 min/24 hours before the induction of ischemia, once) reduces neuronal damage in rats with transient focal cerebral ischemia. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar rats with the induction of ischemia induced by middle cerebral artery occlusion (MCAO)Dosage: 2.5 or 25 μg Administration: Intraventricular infusion; 30 min/60 min/24 hours before the induction of ischemia, once Result: Reduced total infarct volume in rats with of pretreat dose of 25 mg and 24 h before MCA. Induced a rapid mitochondrial depolarization.

Form:Solid

Specifications

Synonyms
AKOS030526638 | K6V527OYN8 | (3R, 4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2, 2-dimethyl-3, 4-dihydrochromene-6-carbonitrile | (3R, 4S)-4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3, 4-DIHYDRO-3-HYDROXY-2, 2-DIMETHYL-2H-1-BENZOPYRAN-6-
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
BMS-191095 is a selective activator of mitochondrial ATP-sensitive potassium ( mitoKATP ) channels. BMS-191095 inhibits human platelet aggregation by opening mitochondrial K(ATP) channels.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ACTIVATOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)C
IUPAC Name(3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
InChIKeySMIKIPXIDLITMP-LEWJYISDSA-N
INCHI1S/C22H21ClN4O2/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)/t20-,21+/m0/s1
Isomeric 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
Alternate CAS 166095-21-2
PubChem CID 9822753
MeSH Entry Terms BMS 191095;BMS-191095;BMS191095
Molecular Weight 408.88

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Not available
Direct Parent2,2-dimethyl-1-benzopyrans
Alternative Parents Dialkylarylamines  Aniline and substituted anilines  Chlorobenzenes  Aralkylamines  Alkyl aryl ethers  Aryl chlorides  Imidazoles  Heteroaromatic compounds  Secondary alcohols  1,2-aminoalcohols  Oxacyclic compounds  Nitriles  Azacyclic compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2,2-dimethyl-1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Oxacycle - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KCNJ11 Tclin Sulfonylurea receptor 1, Kir6.2 (325 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATP5F1E Mitochondrial complex V; ATP synthase (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heart (171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (244.57 mM; Need ultrasonic)
Molecular Weight408.900 g/mol
XLogP33.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass408.135 Da
Monoisotopic Mass408.135 Da
Topological Polar Surface Area85.200 Ų
Heavy Atom Count29
Formal Charge0
Complexity615.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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