LY2828360

CAT: 0926-GZB22079-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-GZB22079-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1231220-79-3

MDL Number

MFCD28010855

Smiles

CC1=NC2=C (C (=N1) N3CCN (CC3) C) N=C (N2C4CCOCC4) C5=CC=CC=C5Cl

Molecular Formula

C22H27ClN6O

Molecular Weight

426.94 g/mol

Controlled

Chemical Information

Ly2828360

LY2828360 is under investigation in clinical trial NCT01319929 (A Study of LY2828360 in Patients With Osteoarthritic Knee Pain).

CAS Number	1231220-79-3
PubChem CID	46833780
IUPAC Name	8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine
Molecular Formula	C22H27ClN6O
Molecular Weight	426.9
XLogP	3.3
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	570

SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3

InChIKey

UCMNDPDJRSEZPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1231220-79-3

CID: 46833780

Formula: C22H27ClN6O

MW: 426.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.9
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	426.1934872
Monoisotopic Mass	426.1934872
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	570
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