Levcromakalim - ≥99% , CAS No.94535-50-9

CAS: 94535-50-9 Cat. No.: L275616 Molecular Weight: 286.33
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
1-((3S,4R)-6-Ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-pyrrolidin-2-one | 2-Methyl-4-pentanone oxime | BRN 3622889 | Cromakalim, (3S-trans)-Isomer | Cromakalime | CHEBI:6436 | Cromakalim | Cromakalimum | Tox21_113581 | AKOS000281031 | LEVCROMAKALIM [US
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
L275616-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$195.90
50mg
L275616-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$902.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms
1-((3S, 4R)-6-Ethynyl-3-hydroxy-2, 2-dimethyl-chroman-4-yl)-pyrrolidin-2-one | 2-Methyl-4-pentanone oxime | BRN 3622889 | Cromakalim, (3S-trans)-Isomer | Cromakalime | CHEBI:6436 | Cromakalim | Cromakalimum | Tox21_113581 | AKOS000281031 | LEVCROMAKALIM [US
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Powerful smooth muscle relaxant. Acts by direct activation of ATP-sensitive K + channels. Active enantiomer of cromakalim. EC 50 = 1.6 μM as measured in rat intracardiac ganglia neurones.
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
IUPAC Name(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
InChIKeyTVZCRIROJQEVOT-CABCVRRESA-N
INCHI1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
Isomeric SMILES CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
Molecular Weight 286.33
Reaxy-Rn 8781733
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8781733&ln=

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.

Look up COA →

📊 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 Alkyl aryl ethers  Pyrrolidine-2-ones  N-alkylpyrrolidines  Benzenoids  Tertiary carboxylic acid amides  Secondary alcohols  Lactams  Oxacyclic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen 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 1-benzopyran
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sus scrofa (849 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aorta (2975 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
SolubilitySoluble in DMSO to 100 mM and in ethanol to 25 mM (with warming)
Molecular Weight286.330 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass286.132 Da
Monoisotopic Mass286.132 Da
Topological Polar Surface Area73.600 Ų
Heavy Atom Count21
Formal Charge0
Complexity481.000
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
Reviews

Customer Reviews

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