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BMS-639623

CAT: 0013-GTR19195329-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195329-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-639623 is a potent and selective CCR3 antagonist that inhibits eosinophil chemotaxis at picomolar concentrations. It is a valuable research tool for studying asthma pathophysiology and has been utilized in both in vitro chemotaxis assays and in vivo models of allergic airway inflammation.
CAS Number
675122-44-8
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
CN1C (=NN=N1) C2=CC (NC (N[C@@H] ([C@H] (CN3C[C@H] (CC4=CC=C (F) C=C4) CCC3) O) C) =O) =CC=C2
Molecular Formula
C25H32FN7O2
Molecular Weight
481.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-639623

structure in first source

CAS Number675122-44-8
PubChem CID10050884
IUPAC Name1-[(2R,3S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular FormulaC25H32FN7O2
Molecular Weight481.6
XLogP2.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity666
SMILES
C[C@H]([C@H](CN1CCC[C@H](C1)CC2=CC=C(C=C2)F)O)NC(=O)NC3=CC=CC(=C3)C4=NN=NN4C
InChI
InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
InChIKey
JTVSGNGYUGCQJP-FHJLPGHOSA-N
Chemical Structure
2D Structure
2D structure of Bms-639623
CAS: 675122-44-8
CID: 10050884
Formula: C25H32FN7O2
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass481.26015145
Monoisotopic Mass481.26015145
Topological Polar Surface Area108 Ų
Heavy Atom Count35
Formal Charge0
Complexity666
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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