UNC0638 (hydrate)

CAT: 0804-HY-110093Size: 1 EachDry Ice: NoHazardous: No

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Description

UNC0638 hydrate selectively inhibits G9a and GLP histone methyltransferases with IC50 of 15 nM and 19 nM, respectively. UNC0638 hydrate inhibits TNBC cell invasion and migration in vitro. UNC0638 hydrate is also an inhibitor of EHMT1/2 and induces fetal hemoglobin (HbF) expression in human erythroid progenitor cell culture. In addition, UNC0638 hydrate has anti-FMDV (foot-and-mouth disease virus) and anti-VSV (vesicular stomatitis virus) activities, with excellent potency and selectivity against multiple epigenetic and non-epigenetic targets[1][2][3][4][5].

CAS Number

1255517-77-1

UNSPSC

12352005

Hazard Statement

H315-H319-H320

Target

Autophagy; Histone Methyltransferase; Influenza Virus; VSV

Type

Reference compound

Related Pathways

Anti-infection; Autophagy; Epigenetics

Applications

COVID-19-anti-virus

Field of Research

Cancer; Infection

Assay Protocol

https://www.medchemexpress.com/unc0638-hydrate.html

Smiles

CC(N1CCC(NC2=C3C=C(OC)C(OCCCN4CCCC4)=CC3=NC(C5CCCCC5)=N2)CC1)C.O

Molecular Formula

C30H49N5O3

Molecular Weight

527.74

Precautions

P264-P280-P302+P352-P305+P351+P338-P362

References & Citations

[1]Vedadi M, et al. A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells. Nat Chem Biol. 2011 Jul 10;7 (8) :566-74.|[2]Fu L, et al. Effects of the Histone Methyltransferase Inhibitor UNC0638 on Histone H3K9 Dimethylation of Cultured Ovine Somatic Cells and Development of Resulting Early Cloned Embryos. Reprod Domest Anim. 2014 Apr;49 (2) :e21-5.|[3]Singh N, et al. Inhibition of EHMT2 Induces a Robust Antiviral Response Against Foot-and-Mouth Disease and Vesicular Stomatitis Virus Infections in Bovine Cells. J Interferon Cytokine Res. 2016 Jan;36 (1) :37-47.|[4]Liu X R, et al. UNC0638, a G9a inhibitor, suppresses epithelial‑mesenchymal transition‑mediated cellular migration and invasion in triple negative breast cancer[J]. Molecular medicine reports, 2018, 17 (2) : 2239-2244.|[5]Nualkaew T, et al. UNC0638 induces high levels of fetal hemoglobin expression in β-thalassemia/HbE erythroid progenitor cells[J]. Annals of hematology, 2020, 99: 2027-2036.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine

UNC0638 is a member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively). It has a role as an antiviral agent and an antineoplastic agent. It is an aromatic ether, a member of pyrrolidines, a member of quinazolines, an aminopiperidine, a secondary amino compound and a tertiary amino compound.

CAS Number	1255517-77-1
PubChem CID	46224516
IUPAC Name	2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular Formula	C30H47N5O2
Molecular Weight	509.7
XLogP	6.3
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	660

SMILES

CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5

InChI

InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)

InChIKey

QOECJCJVIMVJGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1255517-77-1

CID: 46224516

Formula: C30H47N5O2

MW: 509.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	509.7
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	509.37297576
Monoisotopic Mass	509.37297576
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	660
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19239742-01	UNC0638 hydrate
MBS578309	UNC0638
A12947-5	UNC0638 5mg
A12947-50	UNC0638 50mg

UNC0638 (hydrate)

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