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RPT193

CAT: 0931-T64013-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T64013-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2366152-15-8
Target
Others, CCR
Related Pathways
GPCR/G Protein, Others, Immunology/Inflammation, Microbiology/Virology
Bioactivity
RPT193 is an orally active CCR4 inhibitor that exhibits an inhibitory effect on the recruitment of Th2 inflammatory immune cells to inflammatory tissues and plays an important role in diseases such as atopic dermatitis, asthma and allergic inflammation.
Smiles
C[C@@H](Nc1nc(nc(C)c1Cl)N1CC(C1)[C@H]1CCCN(C1)[C@H]1C[C@@](C)(C1)C(O)=O)c1ccc(Cl)cc1Cl
Molecular Formula
C27H34Cl3N5O2
Molecular Weight
566.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rpt193

See also: Zelnecirnon (annotation moved to).

CAS Number2366152-15-8
PubChem CID139344142
IUPAC Name3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
Molecular FormulaC27H34Cl3N5O2
Molecular Weight566.9
XLogP4.1
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity811
SMILES
CC1=C(C(=NC(=N1)N2CC(C2)[C@H]3CCCN(C3)C4CC(C4)(C)C(=O)O)N[C@H](C)C5=C(C=C(C=C5)Cl)Cl)Cl
InChI
InChI=1S/C27H34Cl3N5O2/c1-15(21-7-6-19(28)9-22(21)29)31-24-23(30)16(2)32-26(33-24)35-13-18(14-35)17-5-4-8-34(12-17)20-10-27(3,11-20)25(36)37/h6-7,9,15,17-18,20H,4-5,8,10-14H2,1-3H3,(H,36,37)(H,31,32,33)/t15-,17+,20?,27?/m1/s1
InChIKey
ANPSFQZLPNWKHR-PRZTZBHNSA-N
Chemical Structure
2D Structure
2D structure of Rpt193
CAS: 2366152-15-8
CID: 139344142
Formula: C27H34Cl3N5O2
MW: 566.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.9
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass565.177808
Monoisotopic Mass565.177808
Topological Polar Surface Area81.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity811
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5806677RPT193

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