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RPT193

CAT: 0013-GTR19184594-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184594-02Size:50 mg
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Description
RPT193 is an orally bioavailable small molecule antagonist of CCR4, inhibiting the chemotaxis of Th2 cells. It is utilized in research models of allergic diseases such as atopic dermatitis and asthma, demonstrating efficacy in both in vitro migration assays and in vivo inflammatory studies.
CAS Number
2366152-15-8
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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

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