Name: Name:AZ505
Brand: Angene
SKU: AG008TDN
Rating: 90 (10 reviews)

AZ505

CAS No.:

1035227-43-0

Catalog Number:

AG008TDN

Molecular Formula:

C29H38Cl2N4O4

Molecular Weight:

577.5424

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$111

- +

5mg

≥98%

1 week

United States

$273

- +

10mg

≥98%

1 week

United States

$464

- +

50mg

99%

1 week

United States

$1707

- +

100mg

99%

1 week

United States

$2557

- +

Product Description

Catalog Number:

AG008TDN

Chemical Name:

AZ505

CAS Number:

1035227-43-0

Molecular Formula:

C29H38Cl2N4O4

Molecular Weight:

577.5424

MDL Number:

MFCD28044083

IUPAC Name:

N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide

InChI:

InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)

InChI Key:

LIBVHXXKHSODII-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1

Properties

Complexity:

772

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

576.227g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

577.547g/mol

Monoisotopic Mass:

576.227g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2.	Journal of medicinal chemistry 20160526
Oncoepigenomics: making histone lysine methylation count.	European journal of medicinal chemistry 20121001
Structural basis of substrate methylation and inhibition of SMYD2.	Structure (London, England : 1993) 20110907

Properties