Naloxonazine

CAT: 0804-HY-137180Size: 1 EachDry Ice: NoHazardous: No

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Description

Naloxonazine is a potent and selective opiate mu-1 antagonist that can also affect leishmania by regulating host coding function[1].

CAS Number

82824-01-9

UNSPSC

12352005

Target

Opioid Receptor; Parasite

Type

Reference compound

Related Pathways

Anti-infection; GPCR/G Protein; Neuronal Signaling

Applications

COVID-19-immunoregulation

Field of Research

Infection; Neurological Disease

Assay Protocol

https://www.medchemexpress.com/naloxonazine.html

Solubility

10 mM in DMSO

Smiles

O[C@@]1(CC/2)[C@@]([C@](O3)([H])C2=N\N=C(CC4)\[C@@](OC5=C6O)([H])[C@]7(CCN8CC=C)C5=C(C=C6)C[C@]8([H])[C@@]74O)(CC9)C(C3=C%10O)=C(C=C%10)C[C@@]1([H])N9CC=C

Molecular Formula

C38H42N4O6

Molecular Weight

650.76

References & Citations

[1]Géraldine De Muylder, et al. Naloxonazine, an Amastigote-Specific Compound, Affects Leishmania Parasites through Modulation of Host-Encoded Functions. PLoS Negl Trop Dis. 2016 Dec 30;10 (12) :e0005234. |[2]Roberto Ciccocioppo, et al. Effect of selective blockade of mu (1) or delta opioid receptors on reinstatement of alcohol-seeking behavior by drug-associated stimuli in rats. Neuropsychopharmacology. 2002 Sep;27 (3) :391-9.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Leishmania

Chemical Information

Naloxonazine

binds irreversibly to opiate receptor sites; structure given in first source

CAS Number	82824-01-9
PubChem CID	9576413
IUPAC Name	(4R,4aS,7E,7aR,12bS)-7-[(E)-[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Formula	C38H42N4O6
Molecular Weight	650.8
XLogP	4
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	48
Formal Charge	0
Complexity	1350

SMILES

C=CCN1[C@H]2[C@]3([C@]4(C5=C(C2)C=CC(=C5O[C@H]4/C(=N/N=C\6/[C@@H]7OC8=C(C=CC9=C8[C@]72[C@]([C@@H](C9)N(CC2)CC=C)(CC6)O)O)/CC3)O)CC1)O

InChI

InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1

InChIKey

AJPSBXJNFJCCBI-YOHUGVJRSA-N

Chemical Structure

2D Structure

CAS: 82824-01-9

CID: 9576413

Formula: C38H42N4O6

MW: 650.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	650.8
XLogP3	4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	650.31043507
Monoisotopic Mass	650.31043507
Topological Polar Surface Area	131 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1350
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19212532-01	Naloxonazine
562325	Naloxonazine Dihydrochloride

Naloxonazine

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