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AFP-07

CAT: 0931-T23657-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23657-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171232-82-9
Target
Prostaglandin Receptor, Others
Related Pathways
GPCR/G Protein, Others, Immunology/Inflammation
Bioactivity
AFP-07 is a highly selective and potent agonist. It was used for the prostacyclin receptor.
Smiles
[H][C@]12C[C@H]([C@@H]([C@]1(C(F)(/C(O2)=C/CCCC([O-])=O)F)[H])/C=C/[C@H]([C@H](CC#CCC)C)O)O.[Na+]
Molecular Formula
C22H29F2NaO5
Molecular Weight
434.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Afp-07

structure given in first source

CAS Number171232-82-9
PubChem CID23682638
IUPAC Namesodium (5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoate
Molecular FormulaC22H29F2NaO5
Molecular Weight434.4
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity709
SMILES
CCC#CC[C@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C(/C(=C/CCCC(=O)[O-])/O2)(F)F)O)O.[Na+]
InChI
InChI=1S/C22H30F2O5.Na/c1-3-4-5-8-14(2)16(25)12-11-15-17(26)13-18-21(15)22(23,24)19(29-18)9-6-7-10-20(27)28;/h9,11-12,14-18,21,25-26H,3,6-8,10,13H2,1-2H3,(H,27,28);/q;+1/p-1/b12-11+,19-9-;/t14-,15-,16+,17+,18-,21+;/m0./s1
InChIKey
GBCFWAJYJCSFCG-VZKWKQLNSA-M
Chemical Structure
2D Structure
2D structure of Afp-07
CAS: 171232-82-9
CID: 23682638
Formula: C22H29F2NaO5
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass434.18807463
Monoisotopic Mass434.18807463
Topological Polar Surface Area89.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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GTR19200568-01AFP-07
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