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UNC0379

CAT: 0804-HY-12335-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12335-01Size:1 mg
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Description
UNC0379 is a selective, substrate-competitive inhibitor of lysine methyltransferase SETD8 (KMT5A) with an IC50 of 7.3 μM, KD value of 18.3 μM. UNC0379 can be used in the research of inflammation and cancers, such as pulmonary fibrosis, ovarian cancer, neuroblastoma[1][2][3].
CAS Number
1620401-82-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/UNC0379.html
Concentration
10mM
Purity
99.17
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
COC1=C(OC)C=C2C(N=C(N3CCCC3)N=C2NCCCCCN4CCCC4)=C1
Molecular Formula
C23H35N5O2
Molecular Weight
413.56
Precautions
H302, H315, H319, H335
References & Citations
[1]Ma A, et al. Discovery of a Selective, Substrate-Competitive Inhibitor of the Lysine Methyltransferase SETD8. J Med Chem. 2014 Aug 14;57 (15) :6822-33.|[2]Miku Wada, et al. Epigenetic Modifier SETD8 as a Therapeutic Target for High-Grade Serous Ovarian Cancer. Biomolecules. 2020 Dec 16;10 (12) :1686. |[3]Keita Ugai, et al. Inhibition of the SET8 Pathway Ameliorates Lung Fibrosis Even Through Fibroblast Dedifferentiation. Front Mol Biosci. 2020 Aug 5;7:192.
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
SETD8/KMT5A

Chemical Information

Unc0379
CAS Number1620401-82-2
PubChem CID78357767
IUPAC Name6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
Molecular FormulaC23H35N5O2
Molecular Weight413.6
XLogP4.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity498
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC
InChI
InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
InChIKey
WEXCGGWTIDNVNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc0379
CAS: 1620401-82-2
CID: 78357767
Formula: C23H35N5O2
MW: 413.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass413.27907538
Monoisotopic Mass413.27907538
Topological Polar Surface Area62.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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