Ro 04-5595 free base

CAT: 0931-T70049-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70049-01Size:25 mg

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

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CAS Number

194089-07-1

Target

Others, iGluR

Related Pathways

Neuroscience, Membrane transporter/Ion channel, Others

Bioactivity

Ro 04-5595 is a selective antagonist of NMDA receptors NR2B subunits. Ro 04-5595 had an EC 50 of 186 ± 32 nmol/L. Ro 04-5595 was predicted to bind the EVT-101 binding site, not the ifenprodil-binding site. Specific binding, defined with a new NR2B-specific antagonist Ro 04-5595 at 10 microM was fully inhibited by several compounds with the following rank order of affinities--Ro 25-6981 > CP-101,606 > Ro 04-5595 = ifenprodil >> eliprodil > haloperidol > spermine > spermidine > MgCl2 > CaCl2--and partially inhibited by competitive glutamate recognition site antagonists. Complementary high-resolution autoradiographic images using [3H]Ro04-5595 demonstrated strong binding in NR2B receptor-rich regions and low binding in cerebellum where NR2B concentration is low.

Smiles

C(CC1=CC=C(Cl)C=C1)C2C=3C(=CC(OC)=C(O)C3)CCN2C

Molecular Formula

C19H22ClNO2

Molecular Weight

331.84

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

7-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride

CAS Number	194089-07-1
PubChem CID	16759151
IUPAC Name	1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
Molecular Formula	C19H23Cl2NO2
Molecular Weight	368.3
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	372

SMILES

CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)OC.Cl

InChI

InChI=1S/C19H22ClNO2.ClH/c1-21-10-9-14-11-19(23-2)18(22)12-16(14)17(21)8-5-13-3-6-15(20)7-4-13;/h3-4,6-7,11-12,17,22H,5,8-10H2,1-2H3;1H

InChIKey

NVIPBLQAFKRFSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 194089-07-1

CID: 16759151

Formula: C19H23Cl2NO2

MW: 368.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	368.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	367.1105844
Monoisotopic Mass	367.1105844
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Ro 04-5595 free base

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