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Girocitinibum

CAT: 0804-HY-159528Size: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-159528Size:Inquire
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CAS Number
2222137-79-1
UNSPSC Description
Girocitinibum (Girocitinib) is a Janus kinase inhibitor, with anti-inflammatory effect[1].
Target Antigen
JAK
Type
Reference compound
Related Pathways
Epigenetics;JAK/STAT Signaling;Protein Tyrosine Kinase/RTK;Stem Cell/Wnt
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/girocitinibum.html
Smiles
C[C@H](C1=NC2=C(C3=C(C=CO3)N=C2)N1[C@H]4CC[C@@H](OC4)CC#N)O
Molecular Weight
326.35
References & Citations
[1]Girocitinibum (Girocitinib). WHO Drug Information, Vol. 37, No. 4, 2023.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Girocitinib

Girocitinib is a small molecule drug. The usage of the INN stem '-citinib' in the name indicates that Girocitinib is a Janus kinase inhibitor. Girocitinib has a monoisotopic molecular weight of 326.14 Da.

CAS Number2222137-79-1
PubChem CID139412850
IUPAC Name2-[(2R,5S)-5-[4-[(1R)-1-hydroxyethyl]-12-oxa-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaen-3-yl]oxan-2-yl]acetonitrile
Molecular FormulaC17H18N4O3
Molecular Weight326.35
XLogP0.5
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity509
SMILES
C[C@H](C1=NC2=CN=C3C=COC3=C2N1[C@H]4CC[C@@H](OC4)CC#N)O
InChI
InChI=1S/C17H18N4O3/c1-10(22)17-20-14-8-19-13-5-7-23-16(13)15(14)21(17)11-2-3-12(4-6-18)24-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
InChIKey
ZFQNHUSKKDBFHY-GRYCIOLGSA-N
Chemical Structure
2D Structure
2D structure of Girocitinib
CAS: 2222137-79-1
CID: 139412850
Formula: C17H18N4O3
MW: 326.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.35
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass326.13789045
Monoisotopic Mass326.13789045
Topological Polar Surface Area97.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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