Dimethyl-W84 (dibromide)

CAT: 0804-HY-122491-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-122491-01Size:1 mg

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Description

Dimethyl-W84 (dibromide) modulates M2 muscarinic acetylcholine receptors. Dimethyl-W84 (dibromide) can be used in nervous system related research[1].

CAS Number

402475-33-6

UNSPSC

12352005

Target

MAChR

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/dimethyl-w84-dibromide.html

Smiles

CC1=CC=C(C2=C1)C(N(C2=O)CCC[N+](C)(CCCCCC[N+](C)(CCCN3C(C4=C(C3=O)C=CC(C)=C4)=O)C)C)=O.[Br-].[Br-]

Molecular Formula

C34H48Br2N4O4

Molecular Weight

736.58

References & Citations

[1]Tränkle C, et al. Interactions of orthosteric and allosteric ligands with [3H]dimethyl-W84 at the common allosteric site of muscarinic M2 receptors. Mol Pharmacol. 2003 Jul;64 (1) :180-90.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Dimethyl-W84 (dibromide)

CAS Number	402475-33-6
PubChem CID	44265577
IUPAC Name	6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium dibromide
Molecular Formula	C34H48Br2N4O4
Molecular Weight	736.6
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Heavy Atom Count	44
Formal Charge	0
Complexity	916

SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C.[Br-].[Br-]

InChI

InChI=1S/C34H48N4O4.2BrH/c1-25-13-15-27-29(23-25)33(41)35(31(27)39)17-11-21-37(3,4)19-9-7-8-10-20-38(5,6)22-12-18-36-32(40)28-16-14-26(2)24-30(28)34(36)42;;/h13-16,23-24H,7-12,17-22H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

JDKHHBPNUMYHFM-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 402475-33-6

CID: 44265577

Formula: C34H48Br2N4O4

MW: 736.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	736.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	736.20218
Monoisotopic Mass	734.20423
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	916
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
sc-202140	Dimethyl-W84 dibromide
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TRC-E931975-5G	Ethylviologen Dibromide
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Dimethyl-W84 (dibromide)

Chemical Information

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