UNC0638

CAT: 0127-BUP10770-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10770-03Size:25 mg

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CAS Number

1255580-76-7

Purity

=98%

Smiles

COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1

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

Catalog	Name
BUP06701-01	UNC0646
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MBS578309	UNC0638
HY-110093	UNC0638 (hydrate)
A12947-5	UNC0638 5mg
A12947-50	UNC0638 50mg
GTR19239742-01	UNC0638 hydrate

UNC0638

Chemical Information

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