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HAMI 3379

CAT: 0013-GTR19184500-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184500-02Size:2 mg
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Description
HAMI 3379 is a selective CysLT2 receptor antagonist. It reduces brain injury and microglial inflammation in rat models of focal cerebral ischemia. This compound is a valuable research tool for studying neuroinflammation and ischemic damage in both in vivo and in vitro experimental systems.
CAS Number
1245653-57-9
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.75% (May vary between batches)
Smiles
C (N[C@@H]1C[C@@H] (C (O) =O) CCC1) (=O) C2=C (OCCCC3=CC=C (OCCCCOC4CCCCC4) C=C3) C=CC (C (O) =O) =C2
Molecular Formula
C34H45NO8
Molecular Weight
595.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(((1S,3S)-3-Carboxycyclohexyl)carbamoyl)-4-(3-(4-(4-(cyclohexyloxy)butoxy)phenyl)propoxy)benzoic acid
CAS Number1245653-57-9
PubChem CID91523600
IUPAC Name3-[[(1S,3S)-3-carboxycyclohexyl]carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid
Molecular FormulaC34H45NO8
Molecular Weight595.7
XLogP6.2
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count43
Formal Charge0
Complexity853
SMILES
C1CCC(CC1)OCCCCOC2=CC=C(C=C2)CCCOC3=C(C=C(C=C3)C(=O)O)C(=O)N[C@H]4CCC[C@@H](C4)C(=O)O
InChI
InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)/t25-,27-/m0/s1
InChIKey
HRJWSEPIRZRGCL-BDYUSTAISA-N
Chemical Structure
2D Structure
2D structure of 3-(((1S,3S)-3-Carboxycyclohexyl)carbamoyl)-4-(3-(4-(4-(cyclohexyloxy)butoxy)phenyl)propoxy)benzoic acid
CAS: 1245653-57-9
CID: 91523600
Formula: C34H45NO8
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass595.31451739
Monoisotopic Mass595.31451739
Topological Polar Surface Area131 Ų
Heavy Atom Count43
Formal Charge0
Complexity853
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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