NIDULIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H17Cl3O5
Molecular Weight	443.705
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C2=C(OC3=C(Cl)C(O)=C(Cl)C(C)=C3C(=O)O2)C(\C(C)=C\C)=C1Cl

InChI

InChIKey=FSINAZMQWFDQSD-VOTSOKGWSA-N

InChI=1S/C20H17Cl3O5/c1-6-7(2)10-13(22)16(26-5)9(4)17-19(10)27-18-11(20(25)28-17)8(3)12(21)15(24)14(18)23/h6,24H,1-5H3/b7-6+

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Description
Sources: https://www.scbt.com/scbt/product/nidulin-10089-10-8 | https://www.ncbi.nlm.nih.gov/pubmed/13087222 | https://www.ncbi.nlm.nih.gov/pubmed/22307935

Nidulin is a depsidone produced by several fungal species with potent and selective antibacterial activity. Nidulin revealed a potent aromatase inhibitory activity.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cytochrome P450 19A1 39 Target ID: CHEMBL1978 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22307935	Inhibitor 8504		11.2 µM [IC50]
Mycobacterium tuberculosis 21 Target ID: CHEMBL360 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13087222	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Tuberculosis 83 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13087222	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Depsidones, aromatase inhibitors and radical scavenging agents from the marine-derived fungus Aspergillus unguis CRI282-03.	2012-04	22307935
Nidulin and ustin; two chlorine-containing metabolic products of Aspergillus nidulans.	1953-08-15	13087222

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Nidulin revealed a potent aromatase inhibitory activity with the IC50 value of 11.2 uM.

Name

Type

Language

NIDULIN

Common Name

English

METHYLUSTIN

Preferred Name

English

USTIN METHYL ETHER

Common Name

English

4,2-CRESOTIC ACID, 3,5-DICHLORO-6-(5-CHLORO-2-HYDROXY-4-METHOXY-6-(1-METHYLPROPENYL)-M-TOLYLOXY)-, .EPSILON.-LACTONE

Systematic Name

English

NIDULIN [MI]

Common Name

English

11H-DIBENZO(B,E)(1,4)DIOXEPIN-11-ONE, 2,4,7-TRICHLORO-3-HYDROXY-8-METHOXY-1,9-DIMETHYL-6-(1-METHYL-1-PROPENYL)-, (E)-

Systematic Name

English

Code System Code Type Description

CAS

10089-10-8