DG051

CAT: 0127-BUP09122-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP09122-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

929915-58-2

Purity

=98%

Smiles

Cl.OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1

Chemical Information

DG-051

DG051 is a novel small-molecule inhibitor of leukotriene A4 hydrolase (LTA4H), the protein made by one of the genes in the leukotriene pathway that has been shown to link to risk of heart attack. DG051 is designed to decrease risk of heart attack by decreasing the production of leukotriene B4 (LTB4), an end product of the leukotriene pathway and a potent promoter of inflammation.

CAS Number	929915-58-2
PubChem CID	44818987
IUPAC Name	4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
Molecular Formula	C21H25Cl2NO4
Molecular Weight	426.3
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	447

SMILES

C1C[C@H](N(C1)CCCC(=O)O)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C21H24ClNO4.ClH/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25;/h5-12,17H,1-4,13-15H2,(H,24,25);1H/t17-;/m0./s1

InChIKey

UCPVOTSNNAVKNE-LMOVPXPDSA-N

Chemical Structure

2D Structure

CAS: 929915-58-2

CID: 44818987

Formula: C21H25Cl2NO4

MW: 426.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	425.1160637
Monoisotopic Mass	425.1160637
Topological Polar Surface Area	59 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3846314-01	DG051
A21891-50	DG051 50mg
A21891-10	DG051 10mg
A21891-5	DG051 5mg
A21891-200	DG051 200mg
A21891-100	DG051 100mg
A21891-25	DG051 25mg
A21891-1	DG051 1mg
HY-10826	DG051 (free acid)
A21891-10mM-D	DG051 10mM * 1mL in DMSO

DG051

Chemical Information

Alternative Products

Popular Products