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[³H](+)-cis-diltiazem - Moligand™ , Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2, CAS No.H614134, Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2

CAS: H614134 Cat. No.: H614134 PubChem CID: 3076
COA
[³H](+)-cis-diltiazem - Moligand™ , Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2, CAS No.H614134, Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
BRD-A69636825-003-02-1 | Q27156381 | GTPL2512 | MLS006012029 | BCP32159 | KBioGR_001844 | Spectrum2_001736 | NCGC00015332-04 | 2-(4'-methoxyphenyl)-3-acetoxy-5-(N,N-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one | Acetic acid 5-(2-dimethylam
Storage
Room temperature
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Size
Status
Price
Qty
5mg
H614134-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$900.90
25mg
H614134-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,000.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
BRD-A69636825-003-02-1 | Q27156381 | GTPL2512 | MLS006012029 | BCP32159 | KBioGR_001844 | Spectrum2_001736 | NCGC00015332-04 | 2-(4'-methoxyphenyl)-3-acetoxy-5-(N, N-dimethylaminoethyl)-2, 3-dihydro-1, 5-benzothiazepin-4(5H)-one | Acetic acid 5-(2-dimethylam
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
GATING INHIBITOR
Mechanism of action
Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2
Names and Identifiers
Canonical SmilesCOc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C
IUPAC Name[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
InChIKeyHSUGRBWQSSZJOP-UHFFFAOYSA-N
INCHI1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3
Isomeric SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
PubChem CID 3076

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazepines
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Alkylarylthioethers  Tertiary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Lactams  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Organopnictogen compounds  Organic oxides  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzothiazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors tertiary amino compound - aromatic ether - acetate ester - lactam - benzothiazepine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CACNA1C Tclin Voltage-dependent L-type calcium channel subunit alpha-1C (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CACNA1S Tclin Voltage-dependent L-type calcium channel subunit alpha-1S (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 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
LIP Lipase (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
est1 Esterase (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ywrO Nitroreductase (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fldA Flavodoxin (104 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
General stress protein (25 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lipolytic enzyme, G-D-S-L family (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGNH hydrolase-type esterase domain-containing protein (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Steroid 5-alpha reductase C-terminal domain-containing protein (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nitroreductase domain-containing protein (30 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nitroreductase-like protein (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lipoprotein (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sialic acid-specific 9-O-acetylesterase (25 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Diguanylate cyclase (30 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acyltransferase 3 domain-containing protein (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Endoglucanase E (EGE) (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NADH dehydrogenase/NAD(P)H nitroreductase (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xylanase (26 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sialic acid-specific acetylesterase (26 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GDSL-like protein (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acetyl esterase (Acetylxylosidase) (29 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acylhydrolase (43 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Regulatory protein (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acyltransferase (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
3-oxo-5-alpha-steroid 4-dehydrogenase (21 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
Molecular Weight414.500 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass414.161 Da
Monoisotopic Mass414.161 Da
Topological Polar Surface Area84.400 Ų
Heavy Atom Count29
Formal Charge0
Complexity565.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
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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View related series

Cav1.1 Gating inhibitor (6) Cav1.2 Gating inhibitor (10)
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