UNC0638

CAT: 0804-HY-15273-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-15273-01Size:5 mg

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Description

UNC0638, a chemical probe, selectively inhibits G9a and GLP histone methyltransferases with IC50 of 15 nM and 19 nM, respectively. UNC0638 inhibits TNBC cell invasion and migration in vitro. UNC0638 is also an inhibitor of EHMT1/2 and induces fetal hemoglobin (HbF) expression in human erythroid progenitor cell culture. In addition, UNC0638 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

1255580-76-7

UNSPSC

12352005

Hazard Statement

H302

Target

Autophagy; Histone Methyltransferase; Influenza Virus; VSV

Type

Reference compound

Related Pathways

Anti-infection; Autophagy; Epigenetics

Applications

Cancer-programmed cell death

Field of Research

Cancer; Infection

Assay Protocol

https://www.medchemexpress.com/UNC0638.html

Purity

99.48

Solubility

1M HCl : 100 mg/mL (ultrasonic; adjust pH to 1 with HCl) |DMSO : 33.33 mg/mL (ultrasonic)

Smiles

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

Molecular Formula

C30H47N5O2

Molecular Weight

509.73

Precautions

H302

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]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.|[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

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

EHMT1/GLP/KMT1D; EHMT2/G9a/KMT1C

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	1255580-76-7
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: 1255580-76-7

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

Related Products

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HY-13807-01	UNC0646
HY-13980-01	UNC0642
HY-170805-01	UNC0737
HY-13980R-01	UNC0642 (Standard)

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MBS578309	UNC0638
A12947-5	UNC0638 5mg
A12947-50	UNC0638 50mg
GTR19239742-01	UNC0638 hydrate
A12947-100	UNC0638 100mg

UNC0638

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