FERRIC OLEATE

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	3C18H33O2.Fe
Molecular Weight	900.205
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=HOIQWTMREPWSJY-GNOQXXQHSA-K

InChI=1S/3C18H34O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*10-9-;

HIDE SMILES / InChI

Molecular Formula	C18H33O2
Molecular Weight	281.4534
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26059262 | https://www.ncbi.nlm.nih.gov/pubmed/25989427https://www.ncbi.nlm.nih.gov/pubmed/24947938 | http://glixxlabs.com/chemical-products/bioactive-screen-leads_p5/GLXC-03532 | https://www.axonmedchem.com/product/2339https://www.ncbi.nlm.nih.gov/pubmed/24260783https://link.springer.com/article/10.1023%2FB%3APHAC.0000008252.69981.48https://www.ncbi.nlm.nih.gov/pubmed/21970321https://www.ncbi.nlm.nih.gov/pubmed/24068666 | https://www.ncbi.nlm.nih.gov/pubmed/24795896https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inlinehttps://www.google.com/patents/WO2007053452A1https://www.axonmedchem.com/product/1735 | https://patents.google.com/patent/WO2009149508A1/enhttps://www.ncbi.nlm.nih.gov/pubmed/20427474https://www.ncbi.nlm.nih.gov/pubmed/26169470http://www.thesgc.org/chemical-probes/BAY-299 | https://www.ncbi.nlm.nih.gov/pubmed/27911230
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24169304

BAY-299 is a potent and selective BRD1 and TAF1 inhibitor (IC50 values are 6 and 13 nM, respectively). BAY-299 is selective over other bromodomains; >30-fold selective over the other members of the BRPF family, >30-fold selective over close neighbours BRD9 and ATAD2 and >300-fold selective over BRD4. BAY-299 has <1uM activity in the BRD1 and TAF1 NanoBRET™ cell assays.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Tyrosine-protein kinase JAK2 55 Target ID: CHEMBL2971 Sources: https://www.lens.org/lens/patent/WO_2007_053452_A1/fulltext	Inhibitor 8297
Tyrosine-protein kinase JAK2 55 Target ID: CHEMBL2971 Sources: https://www.lens.org/lens/patent/WO_2007_053452_A1/fulltext	Inhibitor 8297
Ribosomal protein S6 kinase alpha 5 4 Target ID: CHEMBL4237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15955699	Inhibitor 8297	0.5 nM [IC50]
LIM domain kinase 1 3 Target ID: CHEMBL3836 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19001433	Inhibitor 8297	5.0 nM [IC50]
LIM domain kinase 2 3 Target ID: CHEMBL5932 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19001433	Inhibitor 8297	6.0 nM [IC50]
Lysine-specific demethylase 4D-like 3 Target ID: CHEMBL1293226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24260783	Inhibitor 8297	920.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inline	Inhibitor 8297	0.5 nM [IC50]
Interleukin-1 receptor-associated kinase 4 4 Target ID: CHEMBL3778 Sources: https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inline	Inhibitor 8297	0.5 nM [IC50]
Bromodomain-containing protein 1 1 Target ID: CHEMBL2176774 Sources: http://www.thesgc.org/chemical-probes/BAY-299	Inhibitor 8297	6.0 nM [IC50]
Transcription initiation factor TFIID subunit 1 1 Target ID: CHEMBL3217390 Sources: http://www.thesgc.org/chemical-probes/BAY-299	Inhibitor 8297	13.0 nM [IC50]
MAP kinase p38 alpha 35 Target ID: CHEMBL260 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20427474	Inhibitor 8297
Voltage-gated potassium channel subunit Kv1.3 8 Target ID: CHEMBL4633 Sources: https://patents.google.com/patent/WO2009149508A1/en \| https://www.axonmedchem.com/product/1735	Blocker 537	50.0 nM [IC50]
Tyrosine-protein kinase BTK 24 Target ID: CHEMBL5251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666	Inhibitor 8297	0.5 nM [IC50]
Tyrosine-protein kinase BMX 1 Target ID: CHEMBL3834 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666	Inhibitor 8297	0.9 nM [IC50]
Tyrosine-protein kinase TEC 1 Target ID: CHEMBL4246 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666	Inhibitor 8297	1.2 nM [IC50]
Histone acetyltransferase KAT5 1 Target ID: Q92993\|\|\|Q9BWK7 Gene ID: 10524.0 Gene Symbol: KAT5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24947938	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2578
Chronic myelogenous leukemia 22 Sources: https://www.lens.org/lens/patent/WO_2007_053452_A1	Primary	Basic research	Unknown Approved Use Unknown
Chronic myeloid leukemia 25 Sources: https://www.lens.org/lens/patent/WO_2007_053452_A1	Primary	Basic research	Unknown Approved Use Unknown
Oral squamous cell carcinoma 7 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24582884	Primary	Basic research	Unknown Approved Use Unknown
Unknown 2578
Unknown 2578
Acute myelogenous leukemia 19 Sources: https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inline	Primary	Basic research	Unknown Approved Use Unknown
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27911230	Primary	Basic research	Unknown Approved Use Unknown
Arthritis 89 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20427474	Primary	Preclinical	Unknown Approved Use Unknown
Unknown 2578
Systemic lupus erythematosus 16 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666	Primary	Preclinical	Unknown Approved Use Unknown
Breast cancer 434 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24947938	Primary	Basic research	Unknown Approved Use Unknown
Neurasthenia 5 Sources: https://www.rlsnet.ru/tn_index_id_14474.htm	Primary	Approved 8429	Dobrocam Approved Use Unknown

PubMed

Title	Date	PubMed
Characterization of the cellular action of the MSK inhibitor SB-747651A.	2012 Jan 1	21970321
Crosstalk between epigenetic readers regulates the MOZ/MORF HAT complexes.	2014 Feb	24169304
Rational design and validation of a Tip60 histone acetyltransferase inhibitor.	2014 Jun 20	24947938
Synthesis of phase-pure and monodisperse iron oxide nanoparticles by thermal decomposition.	2015 Jul 7	26059262
Coat Protein-Dependent Behavior of Poly(ethylene glycol) Tails in Iron Oxide Core Virus-like Nanoparticles.	2015 Jun 10	25989427
PKA-dependent phosphorylation of LIMK1 and Cofilin is essential for mouse sperm acrosomal exocytosis.	2015 Sep 15	26169470
Bromodomain inhibitors and cancer therapy: From structures to applications.	2017 May 4	27911230

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:32 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:32 GMT 2023`
Record UNII	C1NE1661VN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FERRIC OLEATE

Common Name

English

9-OCTADECENOIC ACID (9Z)-, IRON(3+) SALT (3:1)

Common Name

English

IRON TRIOLEATE

Common Name

English

IRON OLEATE, (FE 3+)-

Common Name

English

NSC-112238

Code

English

OLEIC ACID, IRON(3+) SALT

Common Name

English

9-OCTADECENOIC ACID (Z)-, IRON(3+) SALT

Common Name

English

9-OCTADECENOIC ACID (9Z)-, IRON(3+) SALT

Common Name

English

IRON(III) OLEATE

Common Name

English

Code System Code Type Description

FDA UNII

C1NE1661VN