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SUN-C5174

CAT: 0013-GTR19196399-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196399-02Size:50 mg
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Description
SUN-C5174 is a potent and selective 5-HT2 receptor antagonist (pA2=8.98) with antiplatelet activity. It inhibits serotonin-potentiated platelet aggregation in vitro (IC50=6.5-16 nM) and demonstrates protective efficacy in a murine model of acute pulmonary thromboembolism at oral doses ≥0.3 mg/kg.
CAS Number
191592-36-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
CN1C2=C (C (=O) N (CCCN3CCN (CC3) C4=CC=C (F) C=C4) CC[C@@H]2O) C=C1
Molecular Formula
C22H29FN4O2
Molecular Weight
400.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SUN-C5174 (S)-isomer
CAS Number191592-36-6
PubChem CID9801124
IUPAC Name(8S)-5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one
Molecular FormulaC22H29FN4O2
Molecular Weight400.5
XLogP1.5
Topological Polar Surface Area52
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity549
SMILES
CN1C=CC2=C1[C@H](CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C22H29FN4O2/c1-24-11-7-19-21(24)20(28)8-12-27(22(19)29)10-2-9-25-13-15-26(16-14-25)18-5-3-17(23)4-6-18/h3-7,11,20,28H,2,8-10,12-16H2,1H3/t20-/m0/s1
InChIKey
KBZUFSZQLVRGPR-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of SUN-C5174 (S)-isomer
CAS: 191592-36-6
CID: 9801124
Formula: C22H29FN4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass400.22745434
Monoisotopic Mass400.22745434
Topological Polar Surface Area52 Ų
Heavy Atom Count29
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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