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AZD8797

CAT: 0127-BUP04813-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04813-06Size:100 mg
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CAS Number
911715-90-7
Synonyms
KAN-0440567, KAND567
Purity
=98%
Smiles
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12

Chemical Information

Rugocrixan

KAND567, a small molecule, blocks the fractaline (CX3CL1) receptor, which mediates the immune system response to inflammation. Because COVID-19 involves cytotoxic cells associated with this pathway, KAND567 is currently being tested as a treatment for those with the illness.

CAS Number911715-90-7
PubChem CID11965767
IUPAC Name(2R)-2-[[2-amino-5-[(1S)-1-phenylethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular FormulaC19H25N5OS2
Molecular Weight403.6
XLogP4.8
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity452
SMILES
C[C@@H](C1=CC=CC=C1)SC2=NC3=C(C(=N2)N[C@H](CC(C)C)CO)SC(=N3)N
InChI
InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1
InChIKey
ZMQSLMZOWVGBSM-GXTWGEPZSA-N
Chemical Structure
2D Structure
2D structure of Rugocrixan
CAS: 911715-90-7
CID: 11965767
Formula: C19H25N5OS2
MW: 403.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass403.15005279
Monoisotopic Mass403.15005279
Topological Polar Surface Area150 Ų
Heavy Atom Count27
Formal Charge0
Complexity452
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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BA5287-10AZD8797
A21230-100AZD8797 100mg
A21230-25AZD8797 25mg
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A21230-5AZD8797 5mg
A21230-10AZD8797 10mg
A21230-1AZD8797 1mg
A21230-50AZD8797 50mg
A21230-10mM-DAZD8797 10mM * 1mL in DMSO

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