Bepridil hydrochloride - 10mM in DMSO , Voltage-gated calcium channel blocker, CAS No.74764-40-2, Voltage-gated calcium channel blocker

CAS: 74764-40-2 Cat. No.: B425809 Formula: C₂₄H₃₇ClN₂O₂ Molecular Weight: 421.02 EC Number: 685-607-4

GRADE & PURITY 10mM in DMSO

Synonyms

Bepridil hydrochloride hydrate (JAN) | CERM-1978 | DTXSID5040176 | HY-16952A | BEPRIDIL HYDROCHLORIDE HYDRATE [JAN] | BEPRIDIL HYDROCHLORIDE MONOHYDRATE [MI] | SCHEMBL3986618 | AKOS024408879 | NSC-758390 | BEPRIDIL HYDROCHLORIDE [ORANGE BOOK] | s9566 | Or

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Bepridil hydrochloride is a calcium channel protein inhibitor and antagonist that increases the surface area of red blood cells. Bepridil hydrochloride has been shown to be a stomatocytic agent that causes endocytosis and lowers cell deformability in deoxygenated sickle erythrocytes. Furthermore, Bepridil hydrochloride has been reported to block Na|+|and Ca|2+|exchange through membranes. Bepridil hydrochloride also demonstrates the ability to act as an effective inhibitor of|in vitro cell|proliferation. Bepridil hydrochloride is an inhibitor of NCX.

Specifications

Synonyms

Bepridil hydrochloride hydrate (JAN) | CERM-1978 | DTXSID5040176 | HY-16952A | BEPRIDIL HYDROCHLORIDE HYDRATE [JAN] | BEPRIDIL HYDROCHLORIDE MONOHYDRATE [MI] | SCHEMBL3986618 | AKOS024408879 | NSC-758390 | BEPRIDIL HYDROCHLORIDE [ORANGE BOOK] | s9566 | Or

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

BLOCKER

Mechanism of action

Voltage-gated calcium channel blocker

Product Properties

Ki Data

HERG: Ki= 0.18 μM (human)

Names and Identifiers

Pubchem Sid

528763565

Canonical Smiles

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.Cl

IUPAC Name

N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrate;hydrochloride

InChIKey

UEECHQPWQHYEDE-UHFFFAOYSA-N

INCHI

1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2

Isomeric SMILES

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.Cl

WGK Germany

2

RTECS

UY1162000

Molecular Weight

421.02

Reaxy-Rn

8664991

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8664991&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines N-alkylpyrrolidines Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbenzamine - Benzylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• External Descriptors: hydrate - hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 89-93° C
• Molecular Weight: 421.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 420.254 Da
• Monoisotopic Mass: 420.254 Da
• Topological Polar Surface Area: 16.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3