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RS-102895 Hydrochloride

CAT: 1568-C12762-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C12762-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173022-16-6
Synonyms
RS-102895 HCl
Target
CCR
Applications
GPCR & G Protein
Smiles
Cl.FC (F) (F) C1=CC=C (CCN2CCC3 (CC2) OC (=O) NC4=CC=CC=C34) C=C1
Molecular Formula
C21H22ClF3N2O2
Additionnal Information
RS-102895 hydrochloride (HCl) is a potent antagonist of Chemokine (C-C motif) receptor 2 (CCR2) with IC50 of 360 nM, and shows no effect on CCR1. RS-102895 hydrochloride also inhibits human α1a and α1d receptors, rat brain cortex 5-HT1a receptor in cells with IC50s of 130 nM, 320 nM, 470 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

RS 102895 hydrochloride
CAS Number1173022-16-6
PubChem CID16759153
IUPAC Name1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
Molecular FormulaC21H22ClF3N2O2
Molecular Weight426.9
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity552
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
InChI
InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
InChIKey
KRRISOFSWVKYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RS 102895 hydrochloride
CAS: 1173022-16-6
CID: 16759153
Formula: C21H22ClF3N2O2
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.1321901
Monoisotopic Mass426.1321901
Topological Polar Surface Area41.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6946-10RS 102895 hydrochloride
S7538-01RS-102895 Hydrochloride
217756RS 102895 Hydrochloride (1’-[2-[4- (Trifluoromethyl) phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4’-piperidin]-2 (1H) -one Hydrochloride, RS 102895, RS102895)
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TRC-B397945-100MG(+/-)-((exo, RS), RS) Biperiden Hydrochloride
TRC-B397948-2.5MG(+/-)-((endo, RS), RS) Biperiden Hydrochloride
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