YF-2 (hydrochloride)

CAT: 0804-HY-16531A-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-16531A-01Size:5 mg

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Description

YF-2 hydrochloride is a highly selective, blood-brain-barrier permeable histone acetyltransferase activator, acetylates H3 in the hippocampus, with EC50s of 2.75 μM, 29.04 μM and 49.31 μM for CBP, PCAF, and GCN5, respectively, shows no effect on HDAC. Anti-cancer and anti-Alzheimer's disease[1].

CAS Number

1312005-62-1

UNSPSC

12352005

Target

Histone Acetyltransferase

Type

Reference compound

Related Pathways

Epigenetics

Applications

Cancer-programmed cell death

Field of Research

Cancer; Neurological Disease

Assay Protocol

https://www.medchemexpress.com/YF-2_hydrochloride.html

Concentration

10mM

Purity

99.29

Solubility

DMSO : 100 mg/mL (ultrasonic) |H2O : 3.12 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)C2=C(OCC)C=CC=C2OCCN(C)C.Cl

Molecular Formula

C20H23Cl2F3N2O3

Molecular Weight

467.31

References & Citations

[1]FENG, Yen, et al. HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF. WO 2011072243A1.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

CBP/p300; GCN5/PCAF

Chemical Information

YF-2 hydrochloride

CAS Number	1312005-62-1
PubChem CID	71528814
IUPAC Name	N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide;hydrochloride
Molecular Formula	C20H23Cl2F3N2O3
Molecular Weight	467.3
Topological Polar Surface Area	50.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	522

SMILES

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F.Cl

InChI

InChI=1S/C20H22ClF3N2O3.ClH/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24;/h5-9,12H,4,10-11H2,1-3H3,(H,25,27);1H

InChIKey

TZHNKFGAPXMLJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1312005-62-1

CID: 71528814

Formula: C20H23Cl2F3N2O3

MW: 467.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	466.1037825
Monoisotopic Mass	466.1037825
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	522
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	2
Compound Is Canonicalized	Yes

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YF-2 (hydrochloride)

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