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UNC 0631

UNC 0631 structure

CAS No:
1320288-19-4
Formula:
C37H61N7O2
Chemical Name:
UNC 0631
Synonyms:
UNC 0631;UNC0631/UNC-0631;N-[1-(CyclohexylMethyl)-4-piperidinyl]-2-[hexahydro-4-(1-Methylethyl)-1H-1,4-diazepin-1-yl]-6-Methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinaMine;N-[1-(Cyclohexylmethyl)-4-piperidinyl]-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamineUNC0631;UNC 0631, >=98%;N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine
Categories:
Biochemical Engineering > Inhibitors

Description

UNC 0631 is a potent G9a inhibitor with IC50 value of 4 nM.IC50 value: 4 nM [1]Target: G9aUNC 0631, which had high in vitro potency versus G9a and improved lipophilicity, was highly potent (IC50 < 0.06 μM) in reducing H3K9me2 levels in MDA-MB-231 cells and had low cell toxicity. In particular, compounds 7 was more potent than compound 5 and had a similar tox/function ratio in MDAMB-231 cells. UNC 0631 showed excellent separation of functional potency versus cell toxicity in MDA-MB-231 ce

UNC 0631 Basic Attributes

Molecular Weight：

635.92594

Exact Mass：

635.488647

Characteristics

PSA：

72.46000

XLogP3：

6.29

Density：

1.114±0.06 g/cm3(Predicted)

Boiling Point：

763.4±70.0 °C(Predicted)

Flash Point：

415.5±35.7 °C

Refractive Index：

1.579

Drug Information

MeSH Entry Terms：

N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine

UNC 0631 Use and Manufacturing

UNC0631 is a potent and selective inhibitor of G9a activity in vitro (IC50 = 4 nM) and G9a/GLP-mediated dimethylation of histone 3 on lysine 9 in MDA-MB-231 cells (IC50 = 25 nM). It potently inhibits G9a/GLP activity in a variety of cancer cell lines as well as in the human fetal lung IMR-90 cell line.[Cayman Chemical]

Computed Properties

Molecular Weight:635.9
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:635.48867421
Monoisotopic Mass:635.48867421
Topological Polar Surface Area:69.2
Heavy Atom Count:46
Complexity:861
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes