DG172 dihydrochloride

CAT: 0957-S0531-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S0531-01Size:5 mg

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Description

DG-172 dihydrochloride is a novel PPARβ/δ-selective antagonist with the IC50 of 27 nM.

CAS Number

1361504-77-9

Target

PPAR

Activity

DNA Damage/DNA Repair

Molecular Formula

C20H20BrN3.2ClH

Storage Conditions

3 years -20°C powder

Chemical Information

DG172 dihydrochloride

CAS Number	1361504-77-9
PubChem CID	57342888
IUPAC Name	(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile;dihydrochloride
Molecular Formula	C20H22BrCl2N3
Molecular Weight	455.2
Topological Polar Surface Area	30.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	478

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=C3Br.Cl.Cl

InChI

InChI=1S/C20H20BrN3.2ClH/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21;;/h2-9,14H,10-13H2,1H3;2*1H/b17-14+;;

InChIKey

SABUORLIDVBCPI-WTLOABTRSA-N

Chemical Structure

2D Structure

CAS: 1361504-77-9

CID: 57342888

Formula: C20H22BrCl2N3

MW: 455.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	455.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	453.03742
Monoisotopic Mass	453.03742
Topological Polar Surface Area	30.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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