UNC0379

CAT: 0013-GTR19162963-04Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19162963-04Size:5 mg

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Description

UNC0379 is a selective, substrate-competitive inhibitor of lysine methyltransferase SETD8 with IC50 of 7.3 uM, displays good selectivity over 15 other methyltransferases, including G9a and GLP (IC50>100 uM) ; causes neuroblastoma (NB) cell growth inhibition which is p53 dependent, reduces levels of p53K382me1 modification in xenografts.

CAS Number

1620401-82-2

Product Name Alternative

UNC 0379 | UNC-0379

Purity

>98% (HPLC)

Solubility

10 mM in DMSO

Smiles

COC1=C (OC) C=C (N=C (N2CCCC2) N=C3NCCCCCN4CCCC4) C3=C1

Molecular Formula

C23H35N5O2

Molecular Weight

413.5563

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

4-Quinazolinamine, 6,7-dimethoxy-2- (1-pyrrolidinyl) -N-[5- (1-pyrrolidinyl) pentyl]-

Chemical Information

Unc0379

CAS Number	1620401-82-2
PubChem CID	78357767
IUPAC Name	6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
Molecular Formula	C23H35N5O2
Molecular Weight	413.6
XLogP	4.3
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	498

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

CAS: 1620401-82-2

CID: 78357767

Formula: C23H35N5O2

MW: 413.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.6
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	413.27907538
Monoisotopic Mass	413.27907538
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	498
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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UNC0379

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