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Udifitimod

CAT: 0931-T73092-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73092-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883345-06-9
Target
Others, LPL Receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
Udifitimod (BMS-986166) is a potent, selective, orally active S1P1R receptor modulator with potential applications in autoimmune disease research.
Smiles
C(O)[C@]1(N)C[C@H](CC1)C=2C=C3C(=CC2)C[C@H](CCC4=C(OC)C=CC=C4)CC3
Molecular Formula
C25H33NO2
Molecular Weight
379.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Udifitimod

Udifitimod is under investigation in clinical trial NCT05014438 (A Study of BMS-986166 or Branebrutinib for the Treatment of Participants With Atopic Dermatitis).

CAS Number1883345-06-9
PubChem CID118877516
IUPAC Name[(1R,3S)-1-amino-3-[(6S)-6-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
Molecular FormulaC25H33NO2
Molecular Weight379.5
XLogP4.6
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
COC1=CC=CC=C1CC[C@@H]2CCC3=C(C2)C=CC(=C3)[C@H]4CC[C@@](C4)(CO)N
InChI
InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1
InChIKey
QCMHGCDOZLWPOT-FMNCTDSISA-N
Chemical Structure
2D Structure
2D structure of Udifitimod
CAS: 1883345-06-9
CID: 118877516
Formula: C25H33NO2
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass379.251129295
Monoisotopic Mass379.251129295
Topological Polar Surface Area55.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
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

Alternative Products

CatalogName
GTR19212398-01Udifitimod

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